SCHEMBL9502091

SCHEMBL9502091

C=Cc1cccc(Oc2ccc(CCl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 1/20 0.39
TTR P02766 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 1/20 0.38
NLRP1 Q9C000 1/20 0.38
NOD2 Q9HC29 1/20 0.38
ST14 Q9Y5Y6 1/20 0.38
TP53 P04637 1/20 0.38
TLR4 O00206 1/20 0.38
TLR2 O60603 1/20 0.38
LTA4H P09960 1/20 0.37
EPOR P19235 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10737469 0.93 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDTTRTDP1
SCHEMBL8549352 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TTRTDP1MEN1
SCHEMBL31236273 0.82 TDP1 (0.52) ALDH1A1SMN1; SMN2TDP1MEN1MITF
SCHEMBL27656980 0.82 TDP1 (0.52) ALDH1A1SMN1; SMN2TDP1MEN1MITF
SCHEMBL8778154 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HPGDTDP1MEN1
SCHEMBL3276887 0.81 TLR4 (0.53) ALDH1A1TDP1MAPTTP53TLR4
SCHEMBL34465491 0.81 TLR4 (0.53) ALDH1A1TDP1MAPTTP53TLR4
SCHEMBL9504919 0.78 BCHE (0.43) ALDH1A1SMN1; SMN2HPGDTDP1MEN1
SCHEMBL14612623 0.78 RELA (0.56) ALDH1A1SMN1; SMN2TDP1MAPTTP53
SCHEMBL14612631 0.78 TDP1 (0.55) ALDH1A1SMN1; SMN2TDP1MEN1MITF

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-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