SCHEMBL9505014

SCHEMBL9505014

C=CCSc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.38
ALDH1A1 P00352 5/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 2/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
NLRP1 Q9C000 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
LTA4H P09960 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
SCHEMBL9502734 0.85 ALDH1A1 (0.39) TTRALDH1A1MAPTSMN1; SMN2ST14
SCHEMBL9505718 0.81 TTR (0.43) TTRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9501883 0.79 TTR (0.41) TTRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9505086 0.78 TTR (0.42) TTRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9503489 0.77 LTA4H (0.43) TTRALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL8549352 0.77 ALDH1A1 (0.54) TTRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL9504919 0.75 BCHE (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9502091 0.75 ALDH1A1 (0.39) TTRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL10737028 0.74 CETP (0.46) TTRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL21191983 0.74 MTNR1A (0.49) ALDH1A1SMN1; SMN2CYP1A2CYP3A4

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