SCHEMBL9656997

SCHEMBL9656997

NC(=O)c1ccc(N)c(Oc2ccc(F)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.47
PARP10 Q53GL7 1/20 0.47
MAPK14 Q16539 1/20 0.46
PARP1 P09874 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSPB1 P04792 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SCN4A P35499 1/20 0.41
HDAC1 Q13547 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL9658204 0.87 CREBBP (0.46) BRD4CYP1A2CYP3A4CYP2C19HSPB1
SCHEMBL9657468 0.83 CYP1A2 (0.48) MAPK14CYP1A2CYP3A4CYP2C19HSPB1
SCHEMBL9658623 0.83 F2 (0.47) BRD4MAPK14CYP1A2CYP3A4CYP2C19
SCHEMBL9656877 0.83 HDAC1 (0.44) PARP10CYP1A2CYP2C19HSPB1ALDH1A1
SCHEMBL9657002 0.83 MEN1 (0.42) CYP1A2CYP3A4CYP2C19HSPB1ALDH1A1
SCHEMBL9658311 0.82 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19HSPB1ALDH1A1
SCHEMBL9658610 0.81 HSD17B2 (0.46) MAPK14CYP1A2CYP3A4ALDH1A1
SCHEMBL9655353 0.80 HSPB1 (0.37) BRD4MAPK14CYP1A2CYP3A4CYP2C19
SCHEMBL9655274 0.80 HSPB1 (0.56) BRD4PARP1HSPB1ALDH1A1
SCHEMBL9655362 0.79 HSPB1 (0.36) BRD4CYP1A2CYP3A4CYP2C19HSPB1

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