SCHEMBL9502707

SCHEMBL9502707

C#Cc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
LTA4H P09960 2/20 0.35
TTR P02766 1/20 0.34
FFAR1 O14842 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31

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
SCHEMBL719349 0.87 HDAC8 (0.40) FFAR1HDAC8CA1CA2CA12
SCHEMBL1338731 0.82 ST14 (0.48) ST14LTA4HTTRFFAR1CA1
SCHEMBL2187923 0.82 HAO1 (0.44) HAO1LTA4HHDAC8CA1CA2
SCHEMBL8551187 0.82 ST14 (0.48) ST14LTA4HTTRFFAR1CA1
SCHEMBL9503476 0.81 CA12 (0.46) ST14HDAC8CA1CA2CA12
SCHEMBL9504976 0.80 ST14 (0.36) ST14LTA4HTTRFFAR1CA1
SCHEMBL2999573 0.80 PARP15 (0.49)
SCHEMBL10738331 0.78 FFAR1 (0.40) ST14LTA4HTTRFFAR1
SCHEMBL7106722 0.77 MAOA (0.52) HAO1LTA4HCA2CA9CA14
SCHEMBL7038781 0.76 HAO1 (0.41) HAO1LTA4HHDAC8CA1CA2

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