SCHEMBL9539495

SCHEMBL9539495

N#Cc1ccc(N)c(Sc2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.39
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
FBP1 P09467 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL9830505 0.79 PDE7A (0.39) PDE7ASLC6A2SLC6A4SLC6A3FBP1
SCHEMBL9536540 0.76 PDE7A (0.55) PDE7AFBP1KDM4EALDH1A1MAPT
SCHEMBL9535611 0.74 PTGS2 (0.56) PDE7AGAAMAPTALOX15HSD17B10
SCHEMBL9537079 0.71 MAPT (0.43) PDE7AGAAALDH1A1MAPTALOX15
SCHEMBL7274539 0.70 KMT2A (0.41) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL2318636 0.70 USP2 (0.44) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL6264703 0.69 PDE7A (0.43) PDE7ASLC6A2SLC6A4SLC6A3FBP1
SCHEMBL11729689 0.67 KCNH2 (0.46) PDE7AFBP1CYP1A2CYP3A4CYP2C9
SCHEMBL22636690 0.67 ADORA2A (0.50) GAAKDM4EALDH1A1MAPTALOX15
SCHEMBL9535423 0.67 ALDH1A1 (0.43) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4

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