SCHEMBL54997

SCHEMBL54997

[O]C(=O)Nc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.67
TP53 P04637 1/20 0.67
EPHX1 P07099 1/20 0.67
TSHR P16473 1/20 0.67
CDK9 P50750 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CLK4 Q9HAZ1 1/20 0.67
HSD17B10 Q99714 2/20 0.61
NAPRT Q6XQN6 1/20 0.61
CASP3 P42574 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
MAOA P21397 2/20 0.54
MAOB P27338 2/20 0.54
TGM2 P21980 1/20 0.54
ALDH1A1 P00352 2/20 0.52
CYP3A4 P08684 1/20 0.52
TAS2R38 P59533 1/20 0.52
TAAR1 Q96RJ0 2/20 0.52
MAPT P10636 2/20 0.52
POLB P06746 2/20 0.52

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
SCHEMBL11461040 0.85 SMN1; SMN2 (0.48) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL11457921 0.81 GPR35 (0.60) HSD17B10ALDH1A1MAPTPOLBGAA
SCHEMBL8428899 0.80 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Diphenylurea SCHEMBL133103 0.80 SMN1; SMN2 (1.00) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28162617 0.80 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL57554 0.80 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Benzene SCHEMBL28977956 0.80 SMN1; SMN2 (0.70) EPHX2TP53EPHX1TSHRCDK9
SCHEMBL7634 0.80 EPHX2 (0.70) EPHX2TP53EPHX1TSHRCDK9
Iodide SCHEMBL5706290 0.78 EPHX2 (0.67) EPHX2TP53EPHX1TSHRCDK9
Diphenylurea SCHEMBL3037927 0.78 SMN1; SMN2 (0.94) 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 4927 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
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
US-8962608-B2 Cycloalkylnitrile pyrazole carboxamides as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2015-02-24 US claimed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO claimed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO claimed
US-20140243309-A1 CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME LLC 2014-08-28 US claimed
US-20130131091-A1 HARMFUL ORGANISM CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2013-05-23 US claimed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 US claimed
US-4084053-A YELLOW AND ORANGE DYES, PYRIMIDINO(4',5':5,6)-1,2,4-TRIAZINO(4,3-BETA)INDAZOLES CIBA-GEIGY CORPORATION (US) 1978-04-11 US claimed
US-4068085-A YELLOW AND RED ON POLYESTERS AND ACRYLICS CIBA-GEIGY CORPORATION (US) 1978-01-10 US claimed
US-4009158-A DYEING AND PRINTING FIBERS SANDOZ LTD. (CH) 1977-02-22 US claimed
US-3998805-A MONOAZO DYES; POLYESTERS; YELLOW, RED, OR ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1976-12-21 US claimed
US-3987026-A POLYESTERS CIBA-GEIGY CORPORATION (US) 1976-10-19 US claimed
US-3980632-A SYNTHETIC MATERIALS, LEATHER, PAPER, PIGMENTING PLASTICS SANDOZ LTD. (CH) 1976-09-14 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US claimed
US-3945989-A Fluoro triazine containing water insoluble azo dyestuff CIBA-GEIGY AG (CH) 1976-03-23 US claimed
US-3933786-A Heterocyclic-azo-phenyl compounds containing a styrl group CIBA-GEIGY AG (CH) 1976-01-20 US claimed