SCHEMBL9537323

SCHEMBL9537323

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.51
HCAR3 P49019 8/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL9539498 0.88 AKR1C3 (0.53) HCAR3MAPTSMN1; SMN2ATMTDP1
SCHEMBL9535377 0.88 LMNA (0.49) MAPTSMN1; SMN2ATMTDP1ALDH1A1
SCHEMBL9536533 0.86 ALDH1A1 (0.47) HCAR3MAPTSMN1; SMN2ATMTDP1
SCHEMBL16634860 0.83 HCAR3 (0.63) HCAR3MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL16634858 0.83 HCAR3 (0.63) HCAR3MAPTSMN1; SMN2TDP1ALDH1A1
SCHEMBL16634661 0.81 HCAR3 (0.57) CASP6HCAR3MAPTTDP1ALDH1A1
SCHEMBL16634663 0.81 HCAR3 (0.57) CASP6HCAR3MAPTTDP1ALDH1A1
SCHEMBL30615510 0.77 EPAS1 (0.56) MAPTSMN1; SMN2ATMTDP1ALDH1A1
SCHEMBL4940492 0.77 EPAS1 (0.56) MAPTSMN1; SMN2ATMTDP1ALDH1A1
SCHEMBL9536353 0.76 TDP1 (0.50) MAPTSMN1; SMN2ATMTDP1ALDH1A1

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