SCHEMBL19670160

SCHEMBL19670160

CN1CCCN(C(=O)Nc2ccccn2)c2nc(-c3cccc(OC[C@@H](O)CO)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 13/20 0.42
▸ WDR77 Q9BQA1 10/20 0.42
▸ FGFR4 P22455 1/20 0.39
▸ CARM1 Q86X55 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 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
SCHEMBL19365473 0.88 FGFR4 (0.39) PRMT5WDR77FGFR4SIRT2CNR2
SCHEMBL19670156 0.87 PRMT5 (0.40) PRMT5WDR77CARM1SIRT2CYP1A2
SCHEMBL20632604 0.84 FGFR4 (0.45) FGFR4SIRT2CNR2
SCHEMBL19670518 0.83 CNR2 (0.52) FGFR4SIRT2CNR2ALDH1A1
SCHEMBL19365868 0.81 GPR52 (0.38) PRMT5WDR77FGFR4
SCHEMBL19365508 0.81 FGFR4 (0.42) FGFR4CNR2CYP1A2MAPK1ALDH1A1
SCHEMBL19865037 0.80 GRM5 (0.36) CNR2
SCHEMBL16238378 0.80 PRMT5 (0.41) PRMT5WDR77CARM1SIRT2
SCHEMBL16238381 0.80 PRMT5 (0.41) PRMT5WDR77CARM1SIRT2
SCHEMBL16238383 0.80 PRMT5 (0.41) PRMT5WDR77CARM1SIRT2

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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