SCHEMBL19670588

SCHEMBL19670588

COc1cc(NC(=O)N2c3nc(-c4cccc(OC[C@@H](O)CO)c4)ccc3N(C)CC[C@H]2C)ncn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT5 O14744 6/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ADRB2 P07550 4/20 0.34
▸ ADRB1 P08588 4/20 0.34
▸ ADRB3 P13945 4/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ WDR77 Q9BQA1 3/20 0.33
▸ NEK2 P51955 1/20 0.32

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
SCHEMBL19670484 0.90 FAAH (0.37) FGFR4FAAHCSNK1DCSNK1EPDK1
SCHEMBL19670156 0.87 PRMT5 (0.40) CARM1PRMT5ADRB2ADRB1ADRB3
SCHEMBL17618465 0.86 FAAH (0.38) FGFR4FAAHCARM1PRMT5TSHR
SCHEMBL19670373 0.86 KDR (0.41) FGFR4FAAHMAPK1CSNK1DCSNK1E
SCHEMBL19670234 0.85 FGFR4 (0.35) FGFR4CARM1PRMT5ADRB2ADRB1
SCHEMBL19670233 0.83 FAAH (0.39) FGFR4FAAHTSHRMAPK1USP30
SCHEMBL19670584 0.83 FAAH (0.41) FGFR4FAAHTSHRCSNK1DCSNK1E
SCHEMBL19670379 0.82 PRMT5 (0.37) CARM1PRMT5WDR77
SCHEMBL19670266 0.81 FGFR4 (0.41) FGFR4FAAHTSHRMAPK1CSNK1D
SCHEMBL19365394 0.81 FAAH (0.39) FGFR4FAAHUSP30CSNK1DCSNK1E

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
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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