SCHEMBL19904825

SCHEMBL19904825

CCCOc1ccc(-c2n[nH]cc2CN(C)CCNC)cc1C(F)(F)P

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 14/20 0.36
▸ CARM1 Q86X55 10/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PRMT6 Q96LA8 2/20 0.35
▸ PRMT8 Q9NR22 1/20 0.35
▸ S1PR1 P21453 2/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33

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
SCHEMBL16129025 0.93 PDE3B (0.41) PRMT1CARM1PDE3BPDE3APRMT6
SCHEMBL16129012 0.84 S1PR1 (0.39) PRMT1CARM1PDE3BPDE3APRMT6
SCHEMBL16129006 0.83 S1PR1 (0.39) PRMT1CARM1PDE3BPDE3APRMT6
SCHEMBL16128987 0.83 S1PR1 (0.38) PRMT1CARM1PDE3BPDE3APRMT6
SCHEMBL16128988 0.80 XDH (0.44) PRMT1CARM1PDE3BPDE3APRMT6
SCHEMBL16129009 0.79 PDE3B (0.41) PRMT1PDE3BPDE3APRMT6S1PR1
SCHEMBL16127550 0.77 PRMT1 (0.36) PRMT1CARM1PRMT6PRMT8S1PR1
SCHEMBL16129067 0.76 PRMT1 (0.38) PRMT1CARM1PRMT6PRMT8
SCHEMBL16204231 0.76 PRMT1 (0.45) PRMT1CARM1PRMT6PRMT8
SCHEMBL19904785 0.75 AR (0.33) PRMT1CARM1S1PR1

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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