SCHEMBL68444

SCHEMBL68444

[NH]C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.64
TP53 P04637 1/20 0.64
EPHX1 P07099 1/20 0.64
TSHR P16473 1/20 0.64
CDK9 P50750 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
HSD17B10 Q99714 2/20 0.58
NAPRT Q6XQN6 1/20 0.58
TGM2 P21980 1/20 0.58
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 2/20 0.50
PTPN1 P18031 2/20 0.50
ALDH1A1 P00352 2/20 0.50
GAA P10253 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8789419 0.88 PTPN1 (0.67) SMN1; SMN2TAAR1MAPTPTPN1ALDH1A1
SCHEMBL6353164 0.81 TGM2 (0.67) TP53EPHX1SMN1; SMN2TGM2ALDH1A1
SCHEMBL9333337 0.80 SMN1; SMN2 (0.58) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL8476851 0.78 KMT2A (0.60) EPHX2TP53TSHRSMN1; SMN2ALDH1A1
SCHEMBL57554 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Diphenylurea SCHEMBL133103 0.78 SMN1; SMN2 (1.00) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28162617 0.78 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28977956 0.78 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL7634 0.78 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Biphenyl SCHEMBL28335756 0.77 SMN1; SMN2 (0.61) EPHX2TP53EPHX1TSHRCDK9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2973 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US claimed
EP-3728214-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2020-10-28 EP claimed
CN-111727185-A Substituted N-heterocyclyl-and N-heteroaryltetrahydropyrimidines and their salts and their use as herbicidal active substances 拜耳公司 2020-09-29 CN claimed
US-20200079765-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2020-03-12 US claimed
EP-3558975-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES Bayer CropScience Aktiengesellschaft (DE) 2019-10-30 EP claimed
CN-110267950-A Substituted heteroaryl pyrrolones and its salt and its purposes as herbicidal active compounds 拜耳作物科学股份公司 2019-09-20 CN claimed
WO-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO claimed
WO-2018114596-A1 SUBSTITUTED HETEROARYL PYRROLONES AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-06-28 WO claimed
US-20180098995-A1 Combination Products with Tyrosine Kinase Inhibitors and their Use NOVARTIS AG (CH) 2018-04-12 US claimed
EP-2288596-B1 ALICYCLIC CARBOXYLIC ACID DERIVATIVES OF BENZOMORPHANS AND RELATED SCAFFOLDS, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2016-11-30 EP claimed
EP-0027744-A1 Thiophene derivatives, processes for the production thereof and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1981-04-29 EP claimed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US claimed
US-4248788-A INTERMEDIATES TO CINNAMOYLPIPERAZINES AND -HOMOPIPERAZINES DELALANDE S.A. (FR) 1981-02-03 US claimed
EP-0016565-A1 1,2,4-Triazole derivatives, processes for their production and pharmaceutical compositions containing them GLAXO GROUP LIMITED (GB) 1980-10-01 EP claimed
US-4181802-A ADRENERGIC BLOCKING AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-01-01 US claimed
US-4178442-A ANTIANGOROUS ACTIVITY DELALANDE S. A. (FR) 1979-12-11 US claimed
EP-0005610-A2 1-(Heterocyclylalkyl)-1,3-dihydro-2H-benzimidazol-2-ones, their preparation, their pharmaceutical compositions and their use as beta-adrenergic receptor blockers JANSSEN PHARMACEUTICA N.V. (BE) 1979-11-28 EP claimed
US-4105665-A MONOMETHINE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US claimed
US-4018796-A FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US claimed
US-3966703-A Asymmetrical frisazo dyestuffs derived from diazotized 2,7-diamino-carbazole BAYER AKTIENGESELLSCHAFT (DT) 1976-06-29 US claimed