SCHEMBL8003039

SCHEMBL8003039

Cc1ccc(Sc2c(-c3ccc(C#N)cc3)nc(-c3ccn[nH]3)n2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM1A O60341 10/20 0.38
FAAH O00519 1/20 0.36
COMT P21964 1/20 0.36
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2A6 P11509 1/20 0.34
BRAF P15056 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
TYMS P04818 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 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
SCHEMBL1304302 0.92 FAAH (0.44) LMNATDP1L3MBTL1FAAHKDM4C
SCHEMBL1302719 0.73 FAAH (0.50) LMNATDP1L3MBTL1FAAHALDH1A1
SCHEMBL8006548 0.72 MAOA (0.46) LMNATDP1L3MBTL1FAAHALDH1A1
SCHEMBL1304298 0.72 FAAH (0.67) LMNATDP1L3MBTL1FAAHALDH1A1
SCHEMBL12106886 0.70 FAAH (0.48) LMNATDP1L3MBTL1FAAHKDM4C
SCHEMBL8005254 0.70 FAAH (0.55) LMNATDP1L3MBTL1FAAHALDH1A1
SCHEMBL8006327 0.69 GAA (0.52) LMNATDP1L3MBTL1FAAHALDH1A1
SCHEMBL1303791 0.68 MAOA (0.50) LMNATDP1L3MBTL1FAAHALDH1A1
SCHEMBL12106073 0.68 FAAH (0.46) LMNATDP1L3MBTL1FAAHALDH1A1
SCHEMBL1303162 0.67 FAAH (0.45) LMNATDP1L3MBTL1FAAHKDM4C

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-2009152025-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH MERCK & CO., INC. (US) 2009-12-17 WO disclosed