SCHEMBL9655201

SCHEMBL9655201

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.53
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.42
TTR P02766 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
SCHEMBL9656755 0.86 HSPB1 (0.56) HSPB1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL9655263 0.86 HSPB1 (0.51) HSPB1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL9658643 0.85 HSPB1 (0.58) HSPB1LMNAMAPK1HTTATM
SCHEMBL9655191 0.84 HSPB1 (0.56) HSPB1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9655274 0.84 HSPB1 (0.56) HSPB1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL9656834 0.83 L3MBTL1 (0.55) HSPB1ALDH1A1KMT2AATMTDP1
SCHEMBL9657490 0.83 HSPB1 (0.53) HSPB1ALDH1A1LMNAHTTKMT2A
SCHEMBL31522185 0.82 HSPB1 (0.70) HSPB1ALDH1A1HTTKMT2AATM
SCHEMBL9655176 0.81 HSPB1 (0.51) HSPB1ALDH1A1KMT2AATMTDP1
SCHEMBL9658575 0.81 HSPB1 (0.54) HSPB1ALDH1A1MAPK1KMT2AATM

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