SCHEMBL9671024

SCHEMBL9671024

CNC(=S)C1(c2cccnc2)CCC(CCNS(=O)(=O)c2cccc(C#N)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
VNN1 O95497 1/20 0.37
CNR1 P21554 2/20 0.37
CHRM4 P08173 1/20 0.36
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
GLO1 Q04760 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
SCN9A Q15858 1/20 0.33
STS P08842 1/20 0.33
NR3C1 P04150 1/20 0.33
HRH1 P35367 1/20 0.33
CCR3 P51677 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
SCHEMBL9670875 0.84 CNR1 (0.36) NAMPTCNR1
SCHEMBL9218292 0.83 NAMPT (0.36) NAMPTVNN1CNR1ALDH1A1PKM
SCHEMBL9220432 0.83 NAMPT (0.36) NAMPTVNN1CNR1ALDH1A1PKM
SCHEMBL9671018 0.76 CYP3A4 (0.39) NAMPTCNR1ALDH1A1PKMGLO1
SCHEMBL9672533 0.74 SLC6A2 (0.35) CHRM4ALDH1A1
SCHEMBL9218286 0.73 NR3C1 (0.37) NAMPTVNN1CYP11B1CYP11B2GLO1
SCHEMBL9216178 0.71 MAPK1 (0.39) NAMPTCNR1ALDH1A1PKM
SCHEMBL9670602 0.71 GAA (0.36) ALDH1A1
SCHEMBL9217641 0.71 MAPK1 (0.39) NAMPTCNR1ALDH1A1PKM
SCHEMBL9879131 0.71 GAA (0.36) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510028-A1 THIOFORMAMIDE DERIVATIVES. RHONE POULENC RORER SA (FR) 1992-10-28 EP disclosed