SCHEMBL9535897

SCHEMBL9535897

NC(=O)c1ccc(N)c(Nc2ccc(F)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.50
MAPK14 Q16539 2/20 0.50
PARP1 P09874 1/20 0.44
GAA P10253 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SOS1 Q07889 1/20 0.41
HTT P42858 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
SCHEMBL9538256 0.87 HDAC1 (0.49) HDAC1GAANPC1RAB9ASMN1; SMN2
SCHEMBL9535377 0.80 LMNA (0.49) MAPK14PARP1GAANPC1RAB9A
SCHEMBL9539469 0.80 PTGS2 (0.53) MAPK14GAANPC1RAB9ASMN1; SMN2
SCHEMBL15638643 0.75 ALDH1A1 (0.47) HDAC1GAANPC1RAB9ASMN1; SMN2
SCHEMBL29581577 0.73 ALDH1A1 (0.47) HDAC1MAPK14GAANPC1RAB9A
SCHEMBL3606443 0.73 ALDH1A1 (0.47) HDAC1MAPK14GAANPC1RAB9A
SCHEMBL9535914 0.72 MAP2K1 (0.47) HDAC1GAANPC1RAB9ASMN1; SMN2
SCHEMBL1627106 0.71 HDAC1 (0.63) HDAC1PARP1SMN1; SMN2ALDH1A1
SCHEMBL14190740 0.71 PRKCI (0.53) HDAC1PARP1GAASMN1; SMN2HDAC2
SCHEMBL9656997 0.71 BRD4 (0.47) HDAC1MAPK14PARP1CYP1A2CYP3A4

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 5 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
CN-1019388-B Process for preparing N-alkylsulfonamide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1992-12-09 CN 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