SCHEMBL8499647

SCHEMBL8499647

CS(=O)(=O)OCCc1cnc(Cc2ccc(C#N)cc2)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.42
HRH3 Q9Y5N1 1/20 0.39
PLA2G10 O15496 2/20 0.36
PLA2G1B P04054 2/20 0.36
PLA2G2A P14555 2/20 0.36
PLA2G5 P39877 2/20 0.36
TYMP P19971 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
IDH1 O75874 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
PPARG P37231 1/20 0.35
DAO P14920 2/20 0.34
VNN1 O95497 1/20 0.34
FASN P49327 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL8451845 0.91 BRS3 (0.49) BRS3HRH3PLA2G10PLA2G1BPLA2G2A
SCHEMBL7831391 0.80 BRS3 (0.41) BRS3HRH3PLA2G10PLA2G1BPLA2G2A
SCHEMBL2961510 0.77 CYP2A6 (0.46) DAOLOXL2BCHEACHE
SCHEMBL7571253 0.77 HRH3 (0.47) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL7843395 0.77 HRH3 (0.47) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL7505077 0.75 LOXL2 (0.49) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL7129739 0.75 BRS3 (0.52) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL8498703 0.75 BRS3 (0.49) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL10588302 0.75 BRS3 (0.49) BRS3HRH3TYMPGRIN1GRIN2B
SCHEMBL7468902 0.75 HRH3 (0.48) BRS3HRH3TYMPGRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891337-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-01-20 EP disclosed
WO-1997036879-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-09 WO disclosed