SCHEMBL16835574

SCHEMBL16835574

c1ccc2c(c1)[nH]c1c(-c3cccc4oc5c6ccccc6[nH]c5c34)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP14 Q460N5 13/20 0.45
▸ KIF11 P52732 3/20 0.44
▸ GABRP O00591 1/20 0.42
▸ GABRD O14764 1/20 0.42
▸ GABRA1 P14867 1/20 0.42
▸ GABRB1 P18505 1/20 0.42
▸ GABRG2 P18507 1/20 0.42
▸ GABRB3 P28472 1/20 0.42
▸ GABRA5 P31644 1/20 0.42
▸ GABRA3 P34903 1/20 0.42
▸ GABRA2 P47869 1/20 0.42
▸ GABRB2 P47870 1/20 0.42
▸ GABRA4 P48169 1/20 0.42
▸ GABRE P78334 1/20 0.42
▸ GABRA6 Q16445 1/20 0.42
▸ GABRG1 Q8N1C3 1/20 0.42
▸ GABRG3 Q99928 1/20 0.42
▸ GABRQ Q9UN88 1/20 0.42
▸ MAP3K11 Q16584 2/20 0.42
▸ MAP3K9 P80192 1/20 0.42

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
SCHEMBL16835573 0.85 PARP14 (0.45) PARP14KIF11MAP3K11BCHE
SCHEMBL1495149 0.84 PARP14 (0.47) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL30333067 0.84 PARP14 (0.47) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL22180571 0.83 ALOX5 (0.50) PARP14KIF11BCHE
SCHEMBL29733506 0.80 KIF11 (0.63) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL208113 0.80 KIF11 (0.63) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL30332753 0.79 KIF11 (0.53) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL25681440 0.78 CDK4 (0.43) PARP14KIF11GABRPGABRDGABRA1
SCHEMBL16835579 0.78 GABRP (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL15121229 0.78 MAP3K11 (0.44) KIF11GABRPGABRDGABRA1GABRB1

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-2015093813-A2 ORGANIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-06-25 — — WO disclosed
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