SCHEMBL9218286

SCHEMBL9218286

CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1C(C)NS(=O)(=O)c1cccc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.37
VNN1 O95497 2/20 0.36
NAMPT P43490 2/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
F2 P00734 1/20 0.34
KCNA5 P22460 2/20 0.33
GLO1 Q04760 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
HDAC1 Q13547 1/20 0.33
S1PR1 P21453 1/20 0.33
STS P08842 1/20 0.32
ADAMTS4 O75173 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KAT6A Q92794 1/20 0.32
CYP3A4 P08684 1/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9217629 0.89 SLC1A3 (0.36) NAMPTS1PR1CYP3A4KMT2A
SCHEMBL9211998 0.88 ALDH1A1 (0.38) NAMPTCYP3A4POLBKMT2A
SCHEMBL9219652 0.88 ALDH1A1 (0.38) NAMPTCYP3A4POLBKMT2A
SCHEMBL9209313 0.85 NAMPT (0.33) NAMPTF2GLO1KMT2A
SCHEMBL9216670 0.84 P2RX7 (0.33) KMT2A
SCHEMBL9211109 0.84 MEN1 (0.37) NAMPTKMT2A
SCHEMBL9219765 0.84 ALDH1A1 (0.39) NAMPTS1PR1KMT2A
SCHEMBL9215115 0.82 KEAP1 (0.39) NAMPTKMT2A
SCHEMBL9220432 0.82 NAMPT (0.36) NR3C1VNN1NAMPTCYP11B1CYP11B2
SCHEMBL9218292 0.82 NAMPT (0.36) NR3C1VNN1NAMPTCYP11B1CYP11B2

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-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP claimed