SCHEMBL28846510

SCHEMBL28846510

c1ccc2c(c1)[nH]c1c3ccccc3c3cccnc3c21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 7/20 0.59
▸ GABRG2 P18507 7/20 0.59
▸ GABRB3 P28472 7/20 0.59
▸ GABRA5 P31644 7/20 0.59
▸ GABRA3 P34903 7/20 0.59
▸ GABRA2 P47869 7/20 0.59
▸ CDK4 P11802 3/20 0.58
▸ CCND1 P24385 3/20 0.58
▸ GABRP O00591 4/20 0.56
▸ GABRD O14764 4/20 0.56
▸ GABRB1 P18505 4/20 0.56
▸ GABRB2 P47870 4/20 0.56
▸ GABRA4 P48169 4/20 0.56
▸ GABRE P78334 4/20 0.56
▸ GABRA6 Q16445 4/20 0.56
▸ GABRG1 Q8N1C3 4/20 0.56
▸ GABRG3 Q99928 4/20 0.56
▸ GABRQ Q9UN88 4/20 0.56
▸ PARP1 P09874 3/20 0.56
▸ TDO2 P48775 2/20 0.47

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
SCHEMBL30805677 1.00 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3120702 0.91 CDK4 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29546163 0.91 CDK4 (0.64) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18042294 0.88 GABRA1 (0.60) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16547003 0.86 CDK4 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19988704 0.83 GABRA1 (0.63) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28560151 0.79 KIF11 (0.62) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13556881 0.79 GABRA1 (0.58) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19651129 0.78 GABRA1 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23099057 0.78 KIF11 (0.56) 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
CN-115084397-A Light emitting device and electronic apparatus including the same 三星电子株式会社 2022-09-20 — — CN disclosed
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