SCHEMBL30007687

SCHEMBL30007687

Brc1cc2c3ccccc3oc2c2c1[nH]c1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 2/20 0.44
▸ MAP3K9 P80192 1/20 0.44
▸ CDK5 Q00535 5/20 0.43
▸ CDK5R1 Q15078 4/20 0.43
▸ DYRK1A Q13627 3/20 0.43
▸ AHR P35869 1/20 0.40
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CLK1 P49759 1/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38
▸ GABRG2 P18507 1/20 0.38
▸ GABRB3 P28472 1/20 0.38
▸ GABRA5 P31644 1/20 0.38
▸ GABRA3 P34903 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
SCHEMBL16201582 1.00 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL30019295 1.00 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL18594338 0.82 AHR (0.54) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL18101308 0.82 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL24519133 0.80 HPGD (0.45) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL18101101 0.79 MAP3K11 (0.47) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL17465511 0.78 MAP3K11 (0.51) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL16275794 0.78 MAP3K11 (0.53) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL18593650 0.78 AHR (0.55) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL17524700 0.77 MEN1 (0.53) MAP3K11MAP3K9CDK5CDK5R1DYRK1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117203213-A Organic molecules for optoelectronic devices 三星显示有限公司 2023-12-08 — — CN disclosed
CN-116143795-A Organic electroluminescent material and device 环球展览公司 2023-05-23 — — CN disclosed
CN-115461348-A Organic molecules for optoelectronic devices 三星显示有限公司 2022-12-09 — — CN disclosed
CN-115443280-A Organic molecules for optoelectronic devices 三星显示有限公司 2022-12-06 — — CN disclosed
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