SCHEMBL9212243

SCHEMBL9212243

CCNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1C(C)NS(=O)(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RX7 Q99572 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ITGA4 P13612 2/20 0.34
ITGB7 P26010 2/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL9212819 0.96 NR1H4 (0.35) NAMPTALDH1A1P2RX7MEN1KMT2A
SCHEMBL9219311 0.93 EPHX2 (0.38) NAMPTALDH1A1MEN1KMT2A
SCHEMBL9211998 0.90 ALDH1A1 (0.38) NAMPTALDH1A1P2RX7SMN1; SMN2MEN1
SCHEMBL9219652 0.90 ALDH1A1 (0.38) NAMPTALDH1A1P2RX7SMN1; SMN2MEN1
SCHEMBL9211543 0.89 P2RX7 (0.34) NAMPTALDH1A1P2RX7SMN1; SMN2ITGA4
SCHEMBL9217629 0.86 SLC1A3 (0.36) NAMPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9211109 0.83 MEN1 (0.37) NAMPTALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL9219765 0.83 ALDH1A1 (0.39) NAMPTALDH1A1MEN1KMT2A
SCHEMBL9215115 0.81 KEAP1 (0.39) NAMPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9211996 0.81 MAPK1 (0.41) NAMPTALDH1A1KDM4EP2RX7SMN1; SMN2

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