SCHEMBL9655176

SCHEMBL9655176

CONC(=O)c1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 4/20 0.51
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TDP1 Q9NUW8 2/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.41
TTR P02766 1/20 0.41
GSTP1 P09211 1/20 0.41
GSTM2 P28161 1/20 0.41

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
SCHEMBL9656834 0.88 L3MBTL1 (0.55) HSPB1CYP3A4CYP1A2CYP2C19L3MBTL1
SCHEMBL9655274 0.84 HSPB1 (0.56) HSPB1L3MBTL1TDP1ATMALDH1A1
SCHEMBL9656755 0.84 HSPB1 (0.56) HSPB1L3MBTL1TDP1ATMALDH1A1
SCHEMBL9658643 0.83 HSPB1 (0.58) HSPB1TDP1ATMTSHRTTR
SCHEMBL9655191 0.82 HSPB1 (0.56) HSPB1L3MBTL1TDP1ATMALDH1A1
SCHEMBL9658311 0.82 CYP1A2 (0.50) HSPB1CYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL9657490 0.81 HSPB1 (0.53) HSPB1L3MBTL1TDP1ATMALDH1A1
SCHEMBL9655201 0.81 HSPB1 (0.53) HSPB1L3MBTL1TDP1ATMALDH1A1
SCHEMBL9655091 0.80 HSPB1 (0.45) HSPB1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL30663390 0.80 CTSK (0.48) CYP3A4CYP1A2CYP2C19TDP1ATM

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