SCHEMBL9657490

SCHEMBL9657490

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.53
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
TTR P02766 2/20 0.40
MAPT P10636 1/20 0.39
ERN1 O75460 1/20 0.39
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38

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) HSPB1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL9658643 0.85 HSPB1 (0.58) HSPB1ATMTDP1LMNATTR
SCHEMBL9655191 0.84 HSPB1 (0.56) HSPB1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL9655274 0.84 HSPB1 (0.56) HSPB1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL9655201 0.83 HSPB1 (0.53) HSPB1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL9656834 0.83 L3MBTL1 (0.55) HSPB1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL31522185 0.82 HSPB1 (0.70) HSPB1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL9655263 0.81 HSPB1 (0.51) HSPB1ATMTDP1ALDH1A1LMNA
SCHEMBL9655176 0.81 HSPB1 (0.51) HSPB1ATMTDP1L3MBTL1ALDH1A1
SCHEMBL9658575 0.81 HSPB1 (0.54) HSPB1ATMTDP1ALDH1A1TTR

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