SCHEMBL20705970

SCHEMBL20705970

Clc1ccc2oc3[nH]c4cc(Br)ccc4c3c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 7/20 0.42
▸ GABRP O00591 2/20 0.39
▸ GABRD O14764 2/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB1 P18505 2/20 0.39
▸ GABRG2 P18507 2/20 0.39
▸ GABRB3 P28472 2/20 0.39
▸ GABRA5 P31644 2/20 0.39
▸ GABRA3 P34903 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ GABRA4 P48169 2/20 0.39
▸ GABRE P78334 2/20 0.39
▸ GABRA6 Q16445 2/20 0.39
▸ GABRG1 Q8N1C3 2/20 0.39
▸ GABRG3 Q99928 2/20 0.39
▸ GABRQ Q9UN88 2/20 0.39
▸ PIM1 P11309 2/20 0.38
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38

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
SCHEMBL20712297 0.81 CDK5 (0.46) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL20712204 0.73 CDK4 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL29450784 0.72 AHR (0.62) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL20982351 0.72 AHR (0.62) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL18212083 0.72 CHUK (0.53) AHRPIM3CDK4CCND1CDK5
SCHEMBL29591806 0.72 AHR (0.61) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL21651125 0.72 AHR (0.61) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL16276665 0.69 CCNB2 (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL20705969 0.69 CDK4 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21756020 0.68 AHR (0.61) AHRGABRPGABRDGABRA1GABRB1

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-2019027163-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2019-02-07 — — WO disclosed
WO-2019027163-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE USING SAME 덕산네오룩스 주식회사 2019-02-07 — — WO disclosed
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