SCHEMBL9655353

SCHEMBL9655353

Nc1ccc(C(=O)/N=N\C(=O)S)cc1Oc1ccc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.37
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HDAC1 Q13547 1/20 0.35
BRD4 O60885 2/20 0.34
SCN4A P35499 1/20 0.34
MAPK14 Q16539 1/20 0.33
KEAP1 Q14145 1/20 0.33

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
SCHEMBL9655362 0.87 HSPB1 (0.36) HSPB1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9656997 0.80 BRD4 (0.47) HSPB1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9658204 0.79 CREBBP (0.46) HSPB1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9657002 0.76 MEN1 (0.42) HSPB1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9657468 0.76 CYP1A2 (0.48) HSPB1CYP1A2CYP3A4CYP2C19HDAC1
SCHEMBL9656877 0.76 HDAC1 (0.44) HSPB1CYP1A2CYP2C19ALDH1A1HDAC1
SCHEMBL9658623 0.76 F2 (0.47) HSPB1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9658311 0.75 CYP1A2 (0.50) HSPB1CYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL9658610 0.74 HSD17B2 (0.46) CYP1A2CYP3A4ALDH1A1MAPK14
SCHEMBL10556273 0.71 MEN1 (0.54) BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0273369-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 EP disclosed
US-4866091-A ANTINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed
EP-0273369-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-07-06 EP disclosed