SCHEMBL23168264

SCHEMBL23168264

c1ccc2c(c1)[nH]c1c2ccc2c3ccccc3n(-c3ccc4c5ccccc5c5ccccc5c4c3)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.44
▸ GABRD O14764 2/20 0.44
▸ GABRA1 P14867 2/20 0.44
▸ GABRB1 P18505 2/20 0.44
▸ GABRG2 P18507 2/20 0.44
▸ GABRB3 P28472 2/20 0.44
▸ GABRA5 P31644 2/20 0.44
▸ GABRA3 P34903 2/20 0.44
▸ GABRA2 P47869 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ GABRA4 P48169 2/20 0.44
▸ GABRE P78334 2/20 0.44
▸ GABRA6 Q16445 2/20 0.44
▸ GABRG1 Q8N1C3 2/20 0.44
▸ GABRG3 Q99928 2/20 0.44
▸ GABRQ Q9UN88 2/20 0.44
▸ KIF11 P52732 6/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ GPR3 P46089 2/20 0.36

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
SCHEMBL26554235 0.91 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL22212810 0.90 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19853317 0.89 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25102731 0.89 L3MBTL1 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23203572 0.88 KIF11 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24881907 0.87 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29470200 0.87 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29506368 0.87 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31673 0.87 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23168137 0.87 KIF11 (0.51) GABRPGABRDGABRA1GABRB1GABRG2

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
US-20210098704-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-04-01 — — US disclosed
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