SCHEMBL19904785

SCHEMBL19904785

CNCCN(C)Cc1c[nH]nc1-c1cc(OCCOC)c(P)c(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.33
▸ S1PR1 P21453 1/20 0.32
▸ PRMT1 Q99873 9/20 0.32
▸ CARM1 Q86X55 6/20 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
SCHEMBL16129020 0.90 S1PR1 (0.34) ARS1PR1PRMT1CARM1
SCHEMBL16129018 0.89 CARM1 (0.35) ARS1PR1PRMT1CARM1
SCHEMBL16129012 0.87 S1PR1 (0.39) ARS1PR1PRMT1CARM1
SCHEMBL16129002 0.85 CARM1 (0.35) S1PR1PRMT1CARM1
SCHEMBL19432090 0.84 S1PR1 (0.34) ARS1PR1PRMT1CARM1
SCHEMBL19431995 0.84 PRMT1 (0.32) ARPRMT1CARM1
SCHEMBL16129006 0.83 S1PR1 (0.39) ARS1PR1PRMT1CARM1
SCHEMBL19432322 0.81 SLC6A2 (0.32) PRMT1CARM1
SCHEMBL16124050 0.80 PRMT1 (0.38) PRMT1CARM1
SCHEMBL16127635 0.80 PRMT1 (0.33) ARPRMT1

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
EP-2970134-B1 PYRAZOLE DERIVATIVES AS PRMT1 INHIBITORS AND USES THEREOF EPIZYME INC (US) 2018-02-28 — — EP disclosed
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