SCHEMBL8536839

SCHEMBL8536839

CSCc1cc(C#N)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.37
MAOA P21397 3/20 0.35
CYP2A6 P11509 2/20 0.34
MEN1 O00255 1/20 0.34
TTR P02766 1/20 0.34
ALB P02768 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
LOXL2 Q9Y4K0 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A2 P23975 1/20 0.32
IDO1 P14902 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2934457 0.79 CYP2A6 (0.47) CYP2A6MEN1TTRALBKMT2A
SCHEMBL1232330 0.77 MEN1 (0.39) MAOBMAOACYP2A6MEN1TTR
SCHEMBL4773225 0.76 MEN1 (0.43) CYP2A6MEN1TTRALBKMT2A
SCHEMBL7505085 0.76 CYP2A6 (0.32) MAOBCYP2A6MEN1TTRALB
SCHEMBL27528549 0.76 LOXL2 (0.47) MAOBMAOACYP2A6MEN1TTR
SCHEMBL500133 0.76 MEN1 (0.42) MAOBMAOAMEN1TTRALB
SCHEMBL4774237 0.75 ALDH1A1 (0.37) CYP2A6MEN1TTRALBKMT2A
SCHEMBL27455430 0.74 GSK3B (0.39) MAOBMAOACYP2A6MEN1TTR
SCHEMBL4767252 0.74 TSHR (0.42) CYP2A6MEN1TTRALBKMT2A
SCHEMBL534995 0.74 ALDH1A1 (0.41) CYP2A6MEN1TTRALBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0857171-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-08-12 EP disclosed
WO-1997015555-A2 IMIDAZOLE DERIVATIVES AND THE USE THEREOF AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed