SCHEMBL9503547

SCHEMBL9503547

CCCCCSc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
LTA4H P09960 4/20 0.42
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.36
PKM P14618 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC2A1 P11166 1/20 0.35
TSHR P16473 1/20 0.35
AR P10275 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9503534 0.95 MAOA (0.50) MAOAMAOBLTA4HALDH1A1KDM4E
SCHEMBL9503139 0.89 MAOA (0.47) MAOAMAOBLTA4HALDH1A1KDM4E
SCHEMBL9501765 0.82 SLC6A4 (0.44) MAOAMAOBLTA4HALDH1A1NPC1
SCHEMBL9503489 0.81 LTA4H (0.43) MAOAMAOBLTA4HALDH1A1KDM4E
SCHEMBL9503541 0.80 LTA4H (0.66) LTA4HNPC1RAB9ATSHRTP53
SCHEMBL9503567 0.80 LTA4H (0.63) LTA4HALDH1A1KDM4ENPC1RAB9A
SCHEMBL9705598 0.79 HDAC3 (0.42) MAOAMAOBTHRATHRBALDH1A1
SCHEMBL9502761 0.78 THRB (0.49) LTA4HTHRATHRBALDH1A1KDM4E
SCHEMBL5824030 0.77 MAPT (0.46) THRATHRBALDH1A1KDM4ELMNA
SCHEMBL17608773 0.77 KDM4E (0.49) MAOAMAOBLTA4HALDH1A1KDM4E

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 5 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