SCHEMBL9535914

SCHEMBL9535914

N#Cc1ccc(N)c(Nc2ccc(F)cc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 2/20 0.44
SOS1 Q07889 1/20 0.39
CSNK1D P48730 1/20 0.38
CSNK1G2 P78368 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35

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
SCHEMBL15638643 0.76 ALDH1A1 (0.47) MAP2K1ALDH1A1KDM4EGAASOS1
SCHEMBL9536353 0.76 TDP1 (0.50) MAP2K1ALDH1A1SOS1RAB9ASMN1; SMN2
SCHEMBL9534684 0.76 PTGS2 (0.54) MAP2K1ALDH1A1SOS1PTGES2
SCHEMBL2508326 0.75 CDC7 (0.51) ALDH1A1KDM4EGAARAB9ASMN1; SMN2
SCHEMBL29581577 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EGAASOS1CYP2D6
SCHEMBL3606443 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EGAASOS1CYP2D6
SCHEMBL9535897 0.72 HDAC1 (0.50) ALDH1A1GAASOS1CYP2C19NPC1
SCHEMBL27302921 0.72 KDM4E (0.47) MAP2K1ALDH1A1KDM4EGAANPC1
SCHEMBL5540199 0.71 ALDH1A1 (0.59) ALDH1A1SOS1CYP2D6CYP2C19NPC1
SCHEMBL11900810 0.71 GAA (0.76) ALDH1A1KDM4EGAACSNK1DCSNK1G2

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