SCHEMBL8008300

SCHEMBL8008300

Cc1ccc(Sc2cn(-c3cccc(F)c3)nc2-c2ccc(-n3cncn3)nc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.39
KCNH2 Q12809 3/20 0.39
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL1535319 0.91 FAAH (0.49) FAAHKCNH2ALDH1A1KDM4EMEN1
SCHEMBL8002415 0.70 FAAH (0.42) FAAHKCNH2MEN1KMT2A
SCHEMBL1959648 0.69 FAAH (0.50) FAAHKCNH2ALDH1A1KDM4ERXFP1
SCHEMBL1964385 0.68 FAAH (0.49) FAAHKCNH2ALDH1A1KDM4EGAA
SCHEMBL1535359 0.68 FAAH (0.62) FAAHKCNH2ALDH1A1KDM4ERXFP1
SCHEMBL3062248 0.67 CYP2A6 (0.53) FAAHALDH1A1KDM4EMAPK1RXRA
SCHEMBL7992726 0.66 FAAH (0.74) FAAHKCNH2ALDH1A1KDM4EGAA
SCHEMBL7992508 0.66 FAAH (0.71) FAAHKCNH2MEN1KMT2ACCNE1
SCHEMBL8004561 0.66 FAAH (0.51) FAAHKCNH2ALDH1A1KDM4EGAA
SCHEMBL15070809 0.65 FAAH (0.60) FAAHKCNH2ALDH1A1KDM4EMEN1

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
WO-2009151991-A1 PYRAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed