SCHEMBL12676339

SCHEMBL12676339

Bc1ccc2c(c1)[nH]c1c3ccccc3c3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 4/20 0.50
▸ GABRG2 P18507 4/20 0.50
▸ GABRB3 P28472 4/20 0.50
▸ GABRA5 P31644 4/20 0.50
▸ GABRA3 P34903 4/20 0.50
▸ GABRA2 P47869 4/20 0.50
▸ GABRP O00591 3/20 0.50
▸ GABRD O14764 3/20 0.50
▸ GABRB1 P18505 3/20 0.50
▸ GABRB2 P47870 3/20 0.50
▸ GABRA4 P48169 3/20 0.50
▸ GABRE P78334 3/20 0.50
▸ GABRA6 Q16445 3/20 0.50
▸ GABRG1 Q8N1C3 3/20 0.50
▸ GABRG3 Q99928 3/20 0.50
▸ GABRQ Q9UN88 3/20 0.50
▸ CDK4 P11802 5/20 0.40
▸ CCND1 P24385 5/20 0.40
▸ CDK5 Q00535 4/20 0.40
▸ CDK5R1 Q15078 3/20 0.40

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
SCHEMBL12676387 0.87 GABRP (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL22019241 0.80 CDK4 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12676218 0.80 KIF11 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1899929 0.80 CDK4 (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31677103 0.80 GABRP (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29831925 0.80 GABRP (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL532386 0.80 GABRP (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29385634 0.80 GABRP (0.67) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16067811 0.79 GABRP (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
Ammonia Solution, Strong SCHEMBL28374490 0.78 GABRP (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3

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-2011055932-A2 ORGANIC COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND TERMINAL FOR SAME 덕산하이메탈(주) (KR) 2011-05-12 — — WO disclosed
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