SCHEMBL9503555

SCHEMBL9503555

CCCCCc1csc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.37
THRA P10827 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 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
SCHEMBL9503546 0.96 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9503151 0.90 RAB9A (0.42) THRBMEN1USP2ALDH1A1LMNA
SCHEMBL9501774 0.84 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL9502761 0.80 THRB (0.49) THRBTHRAMEN1USP2ALDH1A1
SCHEMBL9501783 0.79 ESR1 (0.52) THRBTHRAMEN1USP2ALDH1A1
SCHEMBL10731233 0.78 TTR (0.37) ALDH1A1
SCHEMBL9502056 0.77 TTR (0.37) ALDH1A1SMN1; SMN2
SCHEMBL10731322 0.77 TTR (0.33)
SCHEMBL9502103 0.75 LTA4H (0.44) THRBTHRAALDH1A1LMNACYP3A4
SCHEMBL9502742 0.74 ALDH1A1 (0.40) MEN1ALDH1A1CYP3A4KMT2ASMN1; SMN2

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