SCHEMBL18667533

SCHEMBL18667533

c1ccc2cc3c(cc2c1)[nH]c1c2ccccc2c2ccccc2c31

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRD1 P41143 1/20 0.44
▸ UHRF1 Q96T88 1/20 0.44
▸ GABRP O00591 1/20 0.43
▸ GABRD O14764 1/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ GABRB1 P18505 1/20 0.43
▸ GABRG2 P18507 1/20 0.43
▸ GABRB3 P28472 1/20 0.43
▸ GABRA5 P31644 1/20 0.43
▸ GABRA3 P34903 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ GABRA4 P48169 1/20 0.43
▸ GABRE P78334 1/20 0.43
▸ GABRA6 Q16445 1/20 0.43
▸ GABRG1 Q8N1C3 1/20 0.43
▸ GABRG3 Q99928 1/20 0.43
▸ GABRQ Q9UN88 1/20 0.43

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
SCHEMBL19660715 0.90 GABRP (0.50) KIF11OPRM1OPRD1UHRF1GABRP
SCHEMBL18017187 0.84 CYP1A2 (0.45) KIF11OPRM1OPRD1UHRF1GABRP
SCHEMBL12219483 0.84 KDM4E (0.46) KIF11OPRM1OPRD1UHRF1CLK1
SCHEMBL15200568 0.80 CDK4 (0.40) KIF11OPRM1OPRD1UHRF1GABRP
SCHEMBL15200585 0.80 OPRM1 (0.38) KIF11OPRM1OPRD1UHRF1GABRP
SCHEMBL16067778 0.80 HTR2B (0.46) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL16068047 0.80 HTR2B (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL19573696 0.80 MEN1 (0.50) KIF11OPRM1OPRD1UHRF1GABRP
SCHEMBL17775035 0.79 KIF11 (0.55) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL23129112 0.79 GABRP (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021230651-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-11-18 — — WO disclosed
WO-2017047992-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-03-23 — — WO disclosed
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