SCHEMBL9302427

SCHEMBL9302427

COc1cc(NS(=O)(=O)c2ccc(Cn3c(C)nc4ccccc43)cc2)cc(OC)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GALR3 O60755 2/20 0.49
NR2F2 P24468 2/20 0.49
RAB9A P51151 1/20 0.49
TNF P01375 1/20 0.49
PTAFR P25105 2/20 0.48
HDAC1 Q13547 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
MAPT P10636 1/20 0.46
ALDH3A1 P30838 2/20 0.45
EDNRA P25101 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL9302400 0.90 ALDH1A1 (0.53) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL9303506 0.81 GALR3 (0.58) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL20422008 0.81 TNF (0.62) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL9303635 0.80 LMNA (0.59) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL9502580 0.79 HTT (0.62) ALDH1A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL9302369 0.77 ALDH1A1 (0.52) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL9302421 0.77 ITGA1 (0.53) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL8129105 0.76 HDAC1 (0.56) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL9298879 0.74 TNF (0.57) ALDH1A1GALR3NR2F2RAB9ATNF
SCHEMBL8131553 0.74 HDAC1 (0.54) ALDH1A1GALR3NR2F2RAB9ATNF

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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