SCHEMBL9214348

SCHEMBL9214348

CCCS(=O)(=O)NC(C)[C@H]1CCCC[C@@]1(C(=S)NC)c1cccnc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A9 P48067 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
P2RX7 Q99572 2/20 0.32
TBXAS1 P24557 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 1/20 0.31
HSD17B10 Q99714 1/20 0.30
IDO1 P14902 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
BRAF P15056 1/20 0.30

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
SCHEMBL9214996 0.95 ITGB3 (0.33) GAASLC6A2SLC6A4SLC6A9P2RX7
SCHEMBL9216670 0.90 P2RX7 (0.33) GAASLC6A2SLC6A4ALDH1A1P2RX7
SCHEMBL9211995 0.87 GRIA2 (0.32) GAASLC6A2SLC6A4CYP1A2ALDH1A1
SCHEMBL9217629 0.85 SLC1A3 (0.36) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL9211998 0.85 ALDH1A1 (0.38) GAACYP2C19ALDH1A1P2RX7SMN1; SMN2
SCHEMBL9219652 0.85 ALDH1A1 (0.38) GAACYP2C19ALDH1A1P2RX7SMN1; SMN2
SCHEMBL9216847 0.83 TSHR (0.38) GAAALDH1A1MAPTKMT2A
SCHEMBL9211109 0.82 MEN1 (0.37) GAAALDH1A1SMN1; SMN2MEN1MAPT
SCHEMBL9219765 0.82 ALDH1A1 (0.39) GAACYP2C19ALDH1A1TBXAS1HSD11B1
SCHEMBL9210074 0.82 PKM (0.32) ALDH1A1P2RX7HSD11B1KMT2A

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