SCHEMBL9502734

SCHEMBL9502734

C=CCSc1ccc(Oc2ccc(CCl)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TP53 P04637 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
APP P05067 1/20 0.32
ST14 Q9Y5Y6 1/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
HPGD P15428 1/20 0.31
LTA4H P09960 1/20 0.31
TTR P02766 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9505014 0.85 TTR (0.38) ALDH1A1SMN1; SMN2CYP3A4ST14MAPT
SCHEMBL10187467 0.83 ALDH1A1 (0.39) ALDH1A1TP53SMN1; SMN2CYP3A4TSHR
SCHEMBL7758343 0.83 MAOA (0.42) ALDH1A1TP53SMN1; SMN2ALOX15L3MBTL1
SCHEMBL314128 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2CYP3A4TSHRMAPT
SCHEMBL10187438 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2CYP3A4TSHRMAPT
SCHEMBL12717349 0.79 TEAD4 (0.42) ALDH1A1TP53SMN1; SMN2MAPTNPC1
SCHEMBL9501765 0.77 SLC6A4 (0.44) ALDH1A1SMN1; SMN2APPST14NPC1
SCHEMBL10187426 0.77 POLB (0.45) ALDH1A1SMN1; SMN2MAPTRAB9AHPGD
SCHEMBL9501888 0.77 ALDH1A1 (0.57) ALDH1A1TP53SMN1; SMN2CYP3A4TSHR
SCHEMBL17026730 0.75 MAOB (0.48) ALDH1A1MAPTRAB9ALMNAMAPK1

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