SCHEMBL9303635

SCHEMBL9303635

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
SMN1; SMN2 Q16637 4/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
THRB P10828 1/20 0.53
TBXAS1 P24557 1/20 0.51
PTAFR P25105 2/20 0.50
ALDH1A1 P00352 3/20 0.49
GALR3 O60755 2/20 0.49
NR2F2 P24468 2/20 0.49
RAB9A P51151 1/20 0.49
TNF P01375 1/20 0.49
GNRHR P30968 3/20 0.49
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
SCHEMBL9502580 0.90 HTT (0.62) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9302400 0.86 ALDH1A1 (0.53) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9301970 0.84 GALR3 (0.57) TBXAS1PTAFRALDH1A1GALR3NR2F2
SCHEMBL9304259 0.83 GALR3 (0.69) MAPK1PTAFRALDH1A1GALR3NR2F2
SCHEMBL9302427 0.80 ALDH1A1 (0.53) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL9302325 0.80 GALR3 (0.56) SMN1; SMN2HTTTSHRMAPK1TBXAS1
SCHEMBL8129105 0.80 HDAC1 (0.56) SMN1; SMN2CYP1A2CYP2C19HTTTBXAS1
SCHEMBL8137536 0.77 TNF (0.59) LMNACYP1A2CYP2C9CYP2C19HTT
SCHEMBL28195553 0.77 HTT (0.75) LMNASMN1; SMN2HTTMAPK1ALDH1A1
SCHEMBL9298879 0.76 TNF (0.57) CYP1A2CYP2C9CYP2C19HTTTHRB

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