SCHEMBL17073573

SCHEMBL17073573

Clc1ccc(C2CC(c3ccccc3)=NC(c3ccccc3)=N2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.50
NOS3 P29474 1/20 0.44
MAOA P21397 4/20 0.42
PRKCZ Q05513 1/20 0.42
TAAR1 Q96RJ0 2/20 0.40
TP53 P04637 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL18698103 0.89 MAOB (0.44) MAOBNOS3MAOATAAR1
SCHEMBL23419435 0.86 MAOB (0.44) MAOBNOS3MAOATAAR1BCHE
SCHEMBL19660923 0.85 ALDH1A1 (0.49) MAOBMAOATAAR1ACHEEGFR
SCHEMBL19563191 0.81 MAOB (0.47) MAOBMAOATAAR1ACHEEGFR
SCHEMBL20861080 0.81 MAOB (0.47) MAOBMAOATAAR1ACHEEGFR
SCHEMBL30279884 0.81 TAAR1 (0.36) MAOBNOS3MAOATAAR1CYP1A2
SCHEMBL20323279 0.80 TAAR1 (0.44) MAOBNOS3MAOATAAR1TP53
SCHEMBL20647414 0.79 NOS3 (0.42) MAOBNOS3MAOATAAR1
SCHEMBL15690790 0.75 MAPT (0.40) MAOBMAOATP53
SCHEMBL24521096 0.75 LIPG (0.50) MAOBMAOATAAR1

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-2015133804-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-09-11 WO disclosed