SCHEMBL9502120

SCHEMBL9502120

CCOc1ccc(Sc2ccc(CCl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGIR P43119 2/20 0.43
LTA4H P09960 2/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1390870 0.88 NQO1 (0.67) NQO1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL10951255 0.86 NQO1 (0.70) NQO1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL9502090 0.86 LMNA (0.45) SMN1; SMN2KDM4ENPC1MAPTRAB9A
SCHEMBL6158908 0.82 LTA4H (0.61) NQO1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL3164479 0.79 NR1H2 (0.41) NPC1MAPTRAB9ATSHRPTGIR
Diethylamine SCHEMBL7072606 0.79 NQO1 (0.54) NQO1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL16200806 0.79 LTA4H (0.61) NQO1SMN1; SMN2KDM4ENPC1MAPT
SCHEMBL12429525 0.79 NQO1 (0.58) NQO1SMN1; SMN2MAPTALDH1A1TSHR
Diphenylsulfane SCHEMBL1047048 0.78 LTA4H (0.53) TSHRLTA4H
SCHEMBL8943757 0.77 NQO1 (0.56) NQO1SMN1; SMN2KDM4EMAPTALDH1A1

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