SCHEMBL19660715

SCHEMBL19660715

c1ccc2cc3c(cc2c1)[nH]c1c3c2ccccc2c2[nH]c3ccccc3c21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 1/20 0.50
▸ GABRD O14764 1/20 0.50
▸ GABRA1 P14867 1/20 0.50
▸ GABRB1 P18505 1/20 0.50
▸ GABRG2 P18507 1/20 0.50
▸ GABRB3 P28472 1/20 0.50
▸ GABRA5 P31644 1/20 0.50
▸ GABRA3 P34903 1/20 0.50
▸ GABRA2 P47869 1/20 0.50
▸ GABRB2 P47870 1/20 0.50
▸ GABRA4 P48169 1/20 0.50
▸ GABRE P78334 1/20 0.50
▸ GABRA6 Q16445 1/20 0.50
▸ GABRG1 Q8N1C3 1/20 0.50
▸ GABRG3 Q99928 1/20 0.50
▸ GABRQ Q9UN88 1/20 0.50
▸ DYRK1A Q13627 2/20 0.49
▸ CLK1 P49759 1/20 0.49
▸ KIF11 P52732 2/20 0.47
▸ CHEK1 O14757 2/20 0.45

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
SCHEMBL18667533 0.90 KIF11 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12219483 0.86 KDM4E (0.46) DYRK1ACLK1KIF11CHEK1CDK4
SCHEMBL17207347 0.80 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29385634 0.80 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31677103 0.80 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL532386 0.80 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29831925 0.80 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL24806927 0.79 KIF11 (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20662954 0.79 KIF11 (0.69) GABRPGABRDGABRA1GABRB1GABRG2
Biphenyl SCHEMBL28630806 0.78 GABRP (0.60) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296248-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR DUK SAN NEOLUX CO., LTD. (KR) 2019-09-26 — — US disclosed
WO-2017204556-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME AND ELECTRONIC DEVICE THEREFOR 덕산네오룩스 주식회사 2017-11-30 — — WO disclosed
Send feedback