SCHEMBL9536353

SCHEMBL9536353

N#Cc1ccc([N+](=O)[O-])c(Nc2ccc(F)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
KAT2B Q92831 1/20 0.46
MAP2K1 Q02750 4/20 0.45
MERTK Q12866 1/20 0.45
MAPT P10636 6/20 0.44
VCAM1 P19320 2/20 0.44
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SOS1 Q07889 1/20 0.38
SNCA P37840 1/20 0.38
LRRK2 Q5S007 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
SCHEMBL17582826 0.84 MERTK (0.60) TDP1ATMKAT2BMERTKMAPT
SCHEMBL17582922 0.79 MEN1 (0.43) KAT2BMERTKMAPTVCAM1KMT2A
SCHEMBL2506704 0.78 MERTK (0.47) TDP1ATMMERTKMAPTVCAM1
SCHEMBL30615510 0.77 EPAS1 (0.56) TDP1ATMKAT2BMAPTKMT2A
SCHEMBL4940492 0.77 EPAS1 (0.56) TDP1ATMKAT2BMAPTKMT2A
SCHEMBL9537323 0.76 CASP6 (0.51) TDP1ATMMAPTKMT2ARAB9A
SCHEMBL9535914 0.76 MAP2K1 (0.47) MAP2K1RAB9AALDH1A1SMN1; SMN2SOS1
SCHEMBL9535377 0.75 LMNA (0.49) TDP1ATMMAPTKMT2ARAB9A
SCHEMBL9539498 0.75 AKR1C3 (0.53) TDP1ATMMAPTKMT2ARAB9A
SCHEMBL11901853 0.75 TDP1 (0.59) TDP1KAT2BMERTKMAPTVCAM1

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