SCHEMBL20071435

SCHEMBL20071435

c1ccc2c(c1)[nH]c1ccc3c(ccc4c3c3cccc5c6ccccc6n4c53)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 6/20 0.47
GABRG2 P18507 6/20 0.47
GABRB3 P28472 6/20 0.47
GABRA5 P31644 6/20 0.47
GABRA3 P34903 6/20 0.47
GABRA2 P47869 6/20 0.47
GABRP O00591 5/20 0.47
GABRD O14764 5/20 0.47
GABRB1 P18505 5/20 0.47
GABRB2 P47870 5/20 0.47
GABRA4 P48169 5/20 0.47
GABRE P78334 5/20 0.47
GABRA6 Q16445 5/20 0.47
GABRG1 Q8N1C3 5/20 0.47
GABRG3 Q99928 5/20 0.47
GABRQ Q9UN88 5/20 0.47
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39

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
SCHEMBL31722759 0.91 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19890583 0.91 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23723205 0.87 GABRA1 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20070688 0.86 GABRA1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20071393 0.86 GABRP (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18933750 0.85 IMPDH2 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20857812 0.84 KDM4E (0.44) AHRALDH1A1GPR3HSD17B10KDM4E
SCHEMBL19827749 0.83 GABRP (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20857975 0.83 KDM4E (0.42) ALDH1A1GPR3HSD17B10KDM4EMEN1
SCHEMBL23723203 0.82 GABRA1 (0.50) 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-2018070836-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE USING SAME AND ELECTRONIC APPARATUS THEREFOR 덕산네오룩스 주식회사 2018-04-19 WO disclosed