SCHEMBL9302400

SCHEMBL9302400

COc1ccc(NS(=O)(=O)c2ccc(Cn3c(C)nc4ccccc43)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TSHR P16473 2/20 0.53
MAPK1 P28482 2/20 0.53
CYP2C19 P33261 2/20 0.52
LMNA P02545 3/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HTT P42858 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
PTAFR P25105 2/20 0.50
NR2F2 P24468 3/20 0.49
RAB9A P51151 2/20 0.49
GALR3 O60755 2/20 0.49
TNF P01375 1/20 0.49
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9302427 0.90 ALDH1A1 (0.53) ALDH1A1CYP2C19LMNAMAPTSMN1; SMN2
SCHEMBL9303635 0.86 LMNA (0.59) ALDH1A1TSHRMAPK1CYP2C19LMNA
SCHEMBL9502580 0.85 HTT (0.62) ALDH1A1TSHRMAPK1CYP2C19LMNA
SCHEMBL9303506 0.83 GALR3 (0.58) ALDH1A1MAPK1LMNATP53MAPT
SCHEMBL9302369 0.79 ALDH1A1 (0.52) ALDH1A1CYP2C19LMNATP53MAPT
SCHEMBL9302421 0.79 ITGA1 (0.53) ALDH1A1MAPTPTAFRNR2F2RAB9A
SCHEMBL8129105 0.76 HDAC1 (0.56) ALDH1A1CYP2C19SMN1; SMN2HTTCYP1A2
SCHEMBL9299653 0.75 TNF (0.59) ALDH1A1CYP2C19TP53CYP1A2CYP2C9
SCHEMBL9298879 0.74 TNF (0.57) ALDH1A1CYP2C19TP53HTTCYP1A2
SCHEMBL8131553 0.74 HDAC1 (0.54) ALDH1A1CYP2C19LMNASMN1; SMN2HTT

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-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP claimed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed