SCHEMBL9658643

SCHEMBL9658643

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

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.58
CASP6 P55212 1/20 0.51
TTR P02766 1/20 0.51
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 2/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9655191 0.88 HSPB1 (0.56) HSPB1TTRATMTDP1LMNA
SCHEMBL9656755 0.88 HSPB1 (0.56) HSPB1TTRATMTDP1LMNA
SCHEMBL9655274 0.88 HSPB1 (0.56) HSPB1ATMTDP1LMNA
SCHEMBL9658575 0.88 HSPB1 (0.54) HSPB1TTRATMTDP1MAPK1
SCHEMBL31522185 0.86 HSPB1 (0.70) HSPB1ATMTDP1HTT
SCHEMBL9657490 0.85 HSPB1 (0.53) HSPB1TTRATMTDP1LMNA
SCHEMBL9656834 0.85 L3MBTL1 (0.55) HSPB1ATMTDP1TSHR
SCHEMBL9655201 0.85 HSPB1 (0.53) HSPB1TTRATMTDP1LMNA
SCHEMBL9655263 0.83 HSPB1 (0.51) HSPB1ATMTDP1LMNARAB9A
SCHEMBL9655176 0.83 HSPB1 (0.51) HSPB1TTRATMTDP1TSHR

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