SCHEMBL18132858

SCHEMBL18132858

c1ccc2c(-c3ccc4c(c3)c3c5ccccc5[nH]c3c3oc5ccccc5c43)cccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 3/20 0.44
▸ MAP3K9 P80192 2/20 0.44
▸ CDK5 Q00535 3/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ DYRK1A Q13627 3/20 0.40
▸ GSK3B P49841 2/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ ALOX5 P09917 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ KIF11 P52732 1/20 0.37
▸ CDK4 P11802 4/20 0.36
▸ CCND1 P24385 4/20 0.36
▸ CCNB2 O95067 1/20 0.34
▸ CCNE2 O96020 1/20 0.34
▸ PRKCG P05129 1/20 0.34
▸ PRKCB P05771 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ CCNE1 P24864 1/20 0.34

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
SCHEMBL25471053 0.83 MAP3K11 (0.41) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL29506369 0.81 MAP3K11 (0.59) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL17228831 0.81 MAP3K11 (0.59) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL30883881 0.81 MAP3K11 (0.59) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL19544395 0.80 CDK5 (0.39) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL13508029 0.77 MCL1 (0.42) ALOX5L3MBTL1TDP1MEN1RAB9A
SCHEMBL22708549 0.77 CDK5 (0.49) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL22708765 0.77 CDK5 (0.49) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL22708929 0.77 MAP3K11 (0.44) MAP3K11MAP3K9CDK5CDK5R1DYRK1A
SCHEMBL18132863 0.77 MAP3K11 (0.44) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9530971-B1 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-12-27 — — US disclosed
US-9466803-B1 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2016-10-11 — — US disclosed
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