SCHEMBL9535377

SCHEMBL9535377

NC(=O)c1ccc([N+](=O)[O-])c(Nc2ccc(F)cc2F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.49
ATM Q13315 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 5/20 0.46
HTT P42858 2/20 0.46
MAPK14 Q16539 1/20 0.46
PARP1 P09874 1/20 0.46
KMT2A Q03164 3/20 0.44
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 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
SCHEMBL9537323 0.88 CASP6 (0.51) LMNAATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL9539498 0.87 AKR1C3 (0.53) LMNAATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL9536533 0.85 ALDH1A1 (0.47) LMNAATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL9535897 0.80 HDAC1 (0.50) SMN1; SMN2ALDH1A1HTTMAPK14PARP1
SCHEMBL30615510 0.76 EPAS1 (0.56) ATMTDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4940492 0.76 EPAS1 (0.56) ATMTDP1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1937077 0.76 PARP1 (0.60) LMNAATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL31176043 0.76 PARP1 (0.60) LMNAATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL9536353 0.75 TDP1 (0.50) LMNAATMTDP1SMN1; SMN2ALDH1A1
SCHEMBL27944435 0.75 HCAR3 (0.56) LMNAATMSMN1; SMN2ALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
CN-88103277-A Novel N-alkane sulfonyl aniline derivatives and preparation method thereof and the pharmaceutical composition that comprises this material 1988-12-07 CN disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed