SCHEMBL10143726

SCHEMBL10143726

COc1ccc(-n2c(=O)[nH]c3ccccc32)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
AURKA O14965 3/20 0.45
GABRP O00591 5/20 0.45
GABRD O14764 5/20 0.45
GABRA1 P14867 5/20 0.45
GABRB1 P18505 5/20 0.45
GABRG2 P18507 5/20 0.45
GABRB3 P28472 5/20 0.45
GABRA5 P31644 5/20 0.45
GABRA3 P34903 5/20 0.45
GABRA2 P47869 5/20 0.45
GABRB2 P47870 5/20 0.45
GABRA4 P48169 5/20 0.45
GABRE P78334 5/20 0.45
GABRA6 Q16445 5/20 0.45
GABRG1 Q8N1C3 5/20 0.45
GABRG3 Q99928 5/20 0.45
GABRQ Q9UN88 5/20 0.45
TNKS O95271 2/20 0.44

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
SCHEMBL30615552 1.00 MEN1 (0.47) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL30615480 0.87 GABRP (0.45) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL21463390 0.86 TNKS (0.41) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL30615431 0.86 TNKS (0.41) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL30615427 0.83 AURKA (0.47) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL21463426 0.82 TNKS (0.40) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL21464133 0.82 AURKA (0.49) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL21464135 0.82 AURKA (0.48) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL30615658 0.82 AURKA (0.49) MEN1KMT2AAURKAGABRPGABRD
SCHEMBL30615432 0.82 AURKA (0.48) MEN1KMT2AAURKAGABRPGABRD

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed