SCHEMBL9502090

SCHEMBL9502090

CCCOc1ccc(Sc2ccc(CCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 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
SCHEMBL2417808 0.89 LMNA (0.53) LMNAL3MBTL1LTA4HALDH1A1HTT
SCHEMBL13397870 0.87 LTA4H (0.53) LMNAL3MBTL1LTA4HALDH1A1HSD17B10
SCHEMBL9502120 0.86 NQO1 (0.52) LMNALTA4HALDH1A1HTTSMN1; SMN2
Diphenylsulfane SCHEMBL1047048 0.85 LTA4H (0.53) L3MBTL1LTA4HTSHRCYP2C19
SCHEMBL29119791 0.85 LTA4H (0.52) LMNAL3MBTL1LTA4HALDH1A1HSD17B10
SCHEMBL9505729 0.84 LTA4H (0.61) LMNAL3MBTL1LTA4HALDH1A1HTT
SCHEMBL2995440 0.81 TSHR (0.56) LTA4HALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL16200800 0.80 LTA4H (0.53) LMNAL3MBTL1LTA4HSMN1; SMN2MAPK1
SCHEMBL16195344 0.79 CYP3A4 (0.57) LTA4HRAB9ATSHRCA12CA1
SCHEMBL16200805 0.79 LTA4H (0.46) LMNAL3MBTL1LTA4HALDH1A1HSD17B10

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186190-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-05-26 EP disclosed
EP-0132606-B1 BENZIMIDAZOLE DERIVATIVES, AND THEIR PRODUCTION AND USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-10-07 EP disclosed
US-4663339-A Acaricidal and insecticidal substituted 1-phenylalkylbenzimidazoles SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-05-05 US disclosed
US-4612323-A Insecticidal and acaricidal derivatives of 1-benzylbenzimidazole SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-09-16 US disclosed
EP-0186190-A2 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1986-07-02 EP disclosed
EP-0132606-A1 Benzimidazole derivatives, and their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-02-13 EP disclosed