SCHEMBL9657002

SCHEMBL9657002

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TRPA1 O75762 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSPB1 P04792 1/20 0.39

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 0.85 CREBBP (0.46) CYP1A2CYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL9658610 0.85 HSD17B2 (0.46) MEN1KMT2AKDM4ESMN1; SMN2CYP1A2
SCHEMBL9656997 0.83 BRD4 (0.47) CYP1A2CYP3A4CYP2C19ALDH1A1HSPB1
SCHEMBL9657468 0.82 CYP1A2 (0.48) SMN1; SMN2CYP1A2CYP3A4CYP2C19HPGD
SCHEMBL9658623 0.82 F2 (0.47) MEN1KMT2ASMN1; SMN2CYP1A2CYP3A4
SCHEMBL9658311 0.81 CYP1A2 (0.50) SMN1; SMN2CYP1A2CYP3A4CYP2C19NPC1
SCHEMBL9655201 0.80 HSPB1 (0.53) KMT2ASMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL9656877 0.79 HDAC1 (0.44) CYP1A2CYP2C19HPGDALDH1A1MAPK1
SCHEMBL9658114 0.78 PTGS2 (0.52) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL9655353 0.76 HSPB1 (0.37) CYP1A2CYP3A4CYP2C19ALDH1A1HSPB1

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 2 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