SCHEMBL7993055

SCHEMBL7993055

Cn1c(I)nc(C2=CC=C(C#N)CC2)c1Sc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
FAAH O00519 1/20 0.32
NPSR1 Q6W5P4 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOD2 Q9HC29 1/20 0.31
TDP1 Q9NUW8 3/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30

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
SCHEMBL1303791 0.78 MAOA (0.50) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL1303082 0.68 FAAH (0.54) FAAH
SCHEMBL1302719 0.61 FAAH (0.50) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL8006548 0.61 MAOA (0.46) MAOAMAOBALDH1A1FAAHNPSR1
SCHEMBL1302990 0.61 MAOA (0.46) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL7994247 0.60 FAAH (0.40) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL12106886 0.59 FAAH (0.48) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL1304208 0.58 FAAH (0.55) MAOAMAOBALDH1A1MEN1KMT2A
SCHEMBL8006299 0.56 PTGS2 (0.42) FAAHLMNA
SCHEMBL5981491 0.56 ALDH1A1 (0.40) MAOAMAOBALDH1A1NPSR1MAPT

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