SCHEMBL16866992

SCHEMBL16866992

c1ccc2c(c1)[nH]c1c3sc4ccccc4c3c3oc4ccccc4c3c21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K11 Q16584 5/20 0.54
▸ MAP3K9 P80192 4/20 0.54
▸ CDK4 P11802 1/20 0.54
▸ CCND1 P24385 1/20 0.54
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ NTRK1 P04629 1/20 0.49
▸ MAP3K10 Q02779 1/20 0.49
▸ TNKS O95271 1/20 0.49
▸ TNKS2 Q9H2K2 1/20 0.49
▸ CDK5 Q00535 3/20 0.37
▸ CDK5R1 Q15078 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ CHEK1 O14757 2/20 0.37
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ ESR1 P03372 1/20 0.36

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
SCHEMBL16867275 0.90 MEN1 (0.50) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL16867276 0.90 MEN1 (0.50) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL16867245 0.90 MEN1 (0.50) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL16866918 0.90 MEN1 (0.50) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL16867273 0.87 MEN1 (0.50) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL22011388 0.81 MAP3K9 (0.67) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL16867092 0.80 MAP3K9 (0.65) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL19985996 0.79 CDK4 (0.63) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL15138782 0.78 MEN1 (0.69) MAP3K11MAP3K9CDK4CCND1MEN1
SCHEMBL30887363 0.78 MEN1 (0.69) MAP3K11MAP3K9CDK4CCND1MEN1

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-2016052835-A1 A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-04-07 — — WO disclosed
WO-2015099507-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUND, AND MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2015-07-02 — — WO disclosed
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