SCHEMBL5041729

SCHEMBL5041729

CNc1cccc(-c2cccc(N)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 4/20 0.58
MAOA P21397 1/20 0.56
MEN1 O00255 2/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 2/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43

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
SCHEMBL3787087 0.88 MAP4K4 (0.54) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL30013886 0.87
SCHEMBL1488513 0.87
SCHEMBL3790176 0.86 MAOA (0.59) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL3788673 0.86 TAAR1 (0.52) MAP4K4MAOAMAPTTDP1ALDH1A1
SCHEMBL13068990 0.84 MAOA (0.52) MAP4K4MAOAMEN1PSIP1AXL
SCHEMBL28488286 0.82 TSHR (0.48) MEN1MAPTKMT2ACYP3A4CYP17A1
SCHEMBL30288275 0.80 TSHR (0.59) MAOAMEN1KDM4EKMT2AALDH1A1
SCHEMBL1038467 0.80 TSHR (0.59) MAOAMEN1KDM4EKMT2AALDH1A1
SCHEMBL3786635 0.80 MAP4K4 (0.46) MAP4K4MAOAMEN1PSIP1AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020071478-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL CONTAINING SAME 出光興産株式会社 2020-04-09 WO disclosed
EP-1485093-B1 DI-ARYL SUBSTITUTED TETRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK SHARP & DOHME (US) 2010-11-03 EP disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed