SCHEMBL9657995

SCHEMBL9657995

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

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.65
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TTR P02766 2/20 0.45

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 0.91 HSPB1 (0.56) HSPB1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9658316 0.84 HSPB1 (0.57) HSPB1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9657033 0.80 HSPB1 (0.56) HSPB1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL22859971 0.79 MAOB (0.46) HSPB1LMNAALDH1A1
SCHEMBL9656884 0.79 HSPB1 (0.54) HSPB1LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9658643 0.79 HSPB1 (0.58) HSPB1LMNAATMTDP1TTR
SCHEMBL1341961 0.79 HSPB1 (0.75) HSPB1ALDH1A1HPGDL3MBTL1ATM
SCHEMBL9656904 0.79 LMNA (0.46) HSPB1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9655283 0.79 HSPB1 (0.57) HSPB1LMNASMN1; SMN2POLBL3MBTL1
SCHEMBL9655274 0.78 HSPB1 (0.56) HSPB1LMNASMN1; SMN2ALDH1A1KMT2A

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