SCHEMBL7831391

SCHEMBL7831391

CCOS(=O)(=O)Cc1cnc(Cc2ccc(C#N)cc2)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.41
HRH3 Q9Y5N1 1/20 0.39
DAO P14920 1/20 0.36
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 0.35
CYP2A6 P11509 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.34
MAPT P10636 1/20 0.34
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PSMB5 P28074 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 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
SCHEMBL8499647 0.80 BRS3 (0.42) BRS3HRH3DAOPLA2G10PLA2G1B
SCHEMBL8801601 0.77 MAPT (0.50) CYP2A6MAPTBCHEACHETRPV4
SCHEMBL8451845 0.75 BRS3 (0.49) BRS3HRH3DAOPLA2G10PLA2G1B
SCHEMBL7505077 0.74 LOXL2 (0.49) BRS3HRH3DAOTYMPCYP2A6
SCHEMBL10588302 0.74 BRS3 (0.49) BRS3HRH3DAOTYMPCYP2A6
SCHEMBL8498703 0.74 BRS3 (0.49) BRS3HRH3DAOTYMPCYP2A6
SCHEMBL7468902 0.74 HRH3 (0.48) BRS3HRH3DAOTYMPCYP2A6
SCHEMBL7129739 0.74 BRS3 (0.52) BRS3HRH3DAOTYMPCYP2A6
SCHEMBL7468183 0.74 BRS3 (0.47) BRS3HRH3PLA2G10PLA2G1BPLA2G2A
SCHEMBL7843395 0.73 HRH3 (0.47) BRS3HRH3DAOTYMPSCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed