SCHEMBL9656755

SCHEMBL9656755

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 5/20 0.56
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
USP10 Q14694 1/20 0.43
USP7 Q93009 1/20 0.43
USP47 Q96K76 1/20 0.43
GAA P10253 1/20 0.42
TTR P02766 2/20 0.42
POLB P06746 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
SCHEMBL9657995 0.91 HSPB1 (0.65) HSPB1ATMTDP1ALDH1A1LMNA
SCHEMBL9656884 0.88 HSPB1 (0.54) HSPB1TDP1ALDH1A1LMNAL3MBTL1
SCHEMBL9658643 0.88 HSPB1 (0.58) HSPB1ATMTDP1LMNATTR
SCHEMBL9656904 0.88 LMNA (0.46) HSPB1ATMTDP1ALDH1A1LMNA
SCHEMBL9655191 0.87 HSPB1 (0.56) HSPB1ATMTDP1ALDH1A1LMNA
SCHEMBL9655274 0.87 HSPB1 (0.56) HSPB1ATMTDP1ALDH1A1LMNA
SCHEMBL9657490 0.86 HSPB1 (0.53) HSPB1ATMTDP1ALDH1A1LMNA
SCHEMBL9656834 0.86 L3MBTL1 (0.55) HSPB1ATMTDP1ALDH1A1L3MBTL1
SCHEMBL9655201 0.86 HSPB1 (0.53) HSPB1ATMTDP1ALDH1A1LMNA
SCHEMBL31522185 0.85 HSPB1 (0.70) HSPB1ATMTDP1ALDH1A1L3MBTL1

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