SCHEMBL7992233

SCHEMBL7992233

Sc1ncc(-c2nn(-c3ccccc3)cc2Sc2ccc(Cl)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.62
KCNH2 Q12809 3/20 0.55
PTGS2 P35354 7/20 0.43
KDM4E B2RXH2 3/20 0.41
DRD2 P14416 1/20 0.41
MAPT P10636 2/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
AURKA O14965 3/20 0.40
GAA P10253 1/20 0.39
PTGES O14684 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL1959216 0.88 FAAH (0.62) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL1535312 0.86 FAAH (0.60) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL15070809 0.84 FAAH (0.60) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL1961515 0.81 FAAH (0.68) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL1964011 0.81 FAAH (0.64) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL1959185 0.79 FAAH (0.59) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL1535165 0.78 FAAH (0.61) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL1535159 0.78 FAAH (0.61) FAAHKCNH2PTGS2KDM4EDRD2
SCHEMBL1962085 0.78 MEN1 (0.61) FAAHKCNH2KDM4EDRD2MAPT
SCHEMBL1960584 0.77 FAAH (0.50) FAAHKCNH2PTGS2KDM4EDRD2

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