SCHEMBL7204931

SCHEMBL7204931

CCCCc1ccc(N)c(N)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.71
CA2 P00918 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTR2A P28223 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CA1 P00915 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTR1A P08908 1/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
ESR1 P03372 2/20 0.41
ADRA2A P08913 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
TACR2 P21452 2/20 0.41

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
SCHEMBL29511379 1.00 SKP2 (0.71) SKP2CA2SMN1; SMN2HPGDNPC1
SCHEMBL10752071 0.94 SKP2 (0.63) SKP2CA2SMN1; SMN2HPGDRAB9A
SCHEMBL6348569 0.92 SKP2 (0.61) SKP2SMN1; SMN2HPGDRAB9AHTR2A
SCHEMBL7204038 0.92 SKP2 (0.61) SKP2SMN1; SMN2HPGDRAB9AHTR2A
SCHEMBL11322552 0.92 SKP2 (0.61) SKP2SMN1; SMN2HPGDRAB9AHTR2A
SCHEMBL25433778 0.92 SKP2 (0.61) SKP2SMN1; SMN2HPGDRAB9AHTR2A
SCHEMBL5604961 0.86 SKP2 (0.53) SKP2CA2SMN1; SMN2NPC1RAB9A
SCHEMBL13896981 0.85 SKP2 (0.69) SKP2CA2SMN1; SMN2HPGDNPC1
SCHEMBL3546545 0.84 SKP2 (0.58) SKP2CA2SMN1; SMN2HPGDNPC1
SCHEMBL28995075 0.84 SKP2 (0.53) SKP2SMN1; SMN2HPGDNPC1RAB9A

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

Claimed or disclosed in 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108689860-A A kind of synthetic method preparing 4- butyl benzene -1,2- diamines 荆门医药工业技术研究院 2018-10-23 CN claimed
EP-0292176-A2 Organo-metal compositions, preparation and use IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-11-23 EP claimed
CN-114436972-B Pabendazole derivative, and preparation method and application thereof 山东大学 2024-02-13 CN disclosed
WO-2023239007-A1 BENZIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR INFECTIOUS DISEASES CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-12-14 WO disclosed
WO-2023239007-A1 BENZIMIDAZOLE DERIVATIVE, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF CANCER OR INFECTIOUS DISEASES CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2023-12-14 WO disclosed
CN-114436972-A Pabendazole derivative and preparation method and application thereof 山东大学 2022-05-06 CN disclosed
CN-108572228-B HPLC (high performance liquid chromatography) determination method for 5-butyl benzotriazole and impurities thereof 荆门医药工业技术研究院 2020-08-25 CN disclosed
CN-107954939-B N under a kind of microwave radiation, the method for the thio formyl chloride derivatives catalysis synthesizing benzimidazole derivative of N- dimethylamino 福建医科大学 2019-09-17 CN disclosed
CN-109180590-A A method of Benzoheterocyclic compounds are quickly prepared using physical grinding method under room temperature solvent-free 福建医科大学 2019-01-11 CN disclosed
CN-108689860-A A kind of synthetic method preparing 4- butyl benzene -1,2- diamines 荆门医药工业技术研究院 2018-10-23 CN disclosed
CN-108689860-A A kind of synthetic method preparing 4- butyl benzene -1,2- diamines 荆门医药工业技术研究院 2018-10-23 CN disclosed
EP-0042753-A1 Nonapeptide and decapeptide agonists of luteinizing hormone releasing hormone containing heterocyclic amino acid residues, methods for their preparation, pharmaceutical compounds containing them, and their pharmaceutical use SYNTEX (U.S.A.) INC. (US) 1981-12-30 EP disclosed
US-4285878-A N-Phenyl-N'-cyano-O-phenylisoureas SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed
EP-0000574-A1 Benzimidazole-2 derivatives, their preparation and their use for the preparation of medicaments CIBA-GEIGY AG (CH) 1979-02-07 EP disclosed
US-4137310-A LARVICIDES AMERICAN CYANAMID COMPANY (US) 1979-01-30 US disclosed
US-4123536-A Dialkyl ({[3-(alkoxycarbonyl)-1,4-dihydro-4-oxo-8-quinolinyl]amino}methylene)propanedioates WARNER-LAMBERT COMPANY (US) 1978-10-31 US disclosed
US-4060491-A 5-ALKYL BENZOTRIAZOLE MOBIL OIL CORPORATION (US) 1977-11-29 US disclosed
US-3965092-A HEAT EXCHANGE, SURFACTANTS PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1976-06-22 US disclosed
US-3953452-A Perinone dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1976-04-27 US disclosed
US-3950391-A FUNGICIDES, MITICIDES, OVICIDES ADAMS CHARLES D 1976-04-13 US disclosed