SCHEMBL18633336

SCHEMBL18633336

Cc1ccc(OCc2ccc(F)cc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.54
APP P05067 1/20 0.54
CYP4F2 P78329 1/20 0.54
CYP4A11 Q02928 1/20 0.54
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NR4A2 P43354 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
PARP10 Q53GL7 1/20 0.47
GRM5 P41594 1/20 0.47

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
SCHEMBL16838833 0.84 APP (0.56) MAOBAPP
SCHEMBL757316 0.82 MAOB (0.53) MAOBAPPCYP4F2CYP4A11NR4A2
SCHEMBL228033 0.82 P4HTM (0.58) MAOBNR4A2
SCHEMBL27550091 0.79 MAOB (0.80) MAOBAPPNR4A2CA12CA1
SCHEMBL16761844 0.79 MAOA (0.52) MAOBMEN1KMT2A
SCHEMBL29468690 0.79 CYP4F2 (0.42) MAOBCYP4F2CYP4A11
SCHEMBL751951 0.78 MEN1 (0.44) MEN1KMT2AGRM5
SCHEMBL19604518 0.78 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL11959895 0.78 MAOB (0.67) MAOBAPPNR4A2CA12CA1
SCHEMBL15776007 0.78 CYP4F2 (0.60) CYP4F2CYP4A11CA12CA1CA2

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
EP-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed