SCHEMBL9503546

SCHEMBL9503546

CCCCc1csc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
S1PR1 P21453 2/20 0.34
S1PR3 Q99500 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SKP2 Q13309 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL9503555 0.96 THRB (0.37) ALDH1A1
SCHEMBL9503151 0.91 RAB9A (0.42) ALDH1A1RAB9A
SCHEMBL9501774 0.85 SMN1; SMN2 (0.39) ALDH1A1RAB9A
SCHEMBL9502103 0.80 LTA4H (0.44) ALDH1A1RAB9AS1PR1S1PR3
SCHEMBL10731233 0.79 TTR (0.37) ALDH1A1RAB9A
SCHEMBL9502056 0.79 TTR (0.37) ALDH1A1RAB9A
SCHEMBL9503485 0.78 FAAH (0.35)
SCHEMBL10731322 0.78 TTR (0.33)
SCHEMBL9502742 0.75 ALDH1A1 (0.40) ALDH1A1
SCHEMBL9502761 0.75 THRB (0.49) ALDH1A1

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