SCHEMBL9211543

SCHEMBL9211543

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.34
GAA P10253 3/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ITGA4 P13612 2/20 0.32
ITGB7 P26010 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NAMPT P43490 3/20 0.31
CYP1A2 P05177 1/20 0.31
GRIA2 P42262 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CPB2 Q96IY4 1/20 0.31
IDO1 P14902 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL9211995 0.90 GRIA2 (0.32) P2RX7GAASLC6A2SLC6A4CYP1A2
SCHEMBL9212819 0.89 NR1H4 (0.35) P2RX7GAANAMPTHSD17B10ALDH1A1
SCHEMBL9212243 0.89 NAMPT (0.38) P2RX7ITGA4ITGB7SMN1; SMN2NAMPT
SCHEMBL9219311 0.86 EPHX2 (0.38) NAMPTALDH1A1TSHR
SCHEMBL9216670 0.83 P2RX7 (0.33) P2RX7GAASLC6A2SLC6A4ITGA4
SCHEMBL9209965 0.82 GAA (0.35) P2RX7GAASLC6A2SLC6A4ITGA4
SCHEMBL9217244 0.82 GAA (0.35) P2RX7GAASLC6A2SLC6A4ITGA4
SCHEMBL9214348 0.81 GAA (0.33) P2RX7GAASLC6A2SLC6A4SMN1; SMN2
SCHEMBL9214996 0.80 ITGB3 (0.33) P2RX7GAASLC6A2SLC6A4SMN1; SMN2
SCHEMBL9217629 0.79 SLC1A3 (0.36) SMN1; SMN2NAMPTHSD17B10ALDH1A1TSHR

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