SCHEMBL19983600

SCHEMBL19983600

COC(=O)NC(CC[C@H](CNCc1ccccc1)CC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)=O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.76
NNMT P40261 4/20 0.55
AHCY P23526 1/20 0.52
DOT1L Q8TEK3 4/20 0.52
DNMT1 P26358 1/20 0.52
DNMT3B Q9UBC3 1/20 0.52
NSD2 O96028 3/20 0.51
PCMT1 P22061 2/20 0.51
SETD7 Q8WTS6 2/20 0.51
TRDMT1 O14717 1/20 0.51
PRMT5 O14744 1/20 0.51
RNMT O43148 1/20 0.51
INMT O95050 1/20 0.51
TPMT P51580 1/20 0.51
METTL3 Q86U44 1/20 0.51
EHMT2 Q96KQ7 1/20 0.51
NSD1 Q96L73 1/20 0.51
PRMT1 Q99873 1/20 0.51
SETD2 Q9BYW2 1/20 0.51
NSD3 Q9BZ95 1/20 0.51

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
SCHEMBL21343826 0.88 CARM1 (0.84) CARM1NNMTAHCYDOT1LTRDMT1
SCHEMBL19983489 0.86 CARM1 (1.00) CARM1NNMTDOT1LDNMT1DNMT3B
SCHEMBL14906024 0.86 CARM1 (1.00) CARM1NNMTDOT1LDNMT1DNMT3B
SCHEMBL16156831 0.86 CARM1 (1.00) CARM1NNMTDOT1LDNMT1DNMT3B
SCHEMBL19983490 0.84 CARM1 (0.82) CARM1NNMTAHCYDOT1LNSD2
SCHEMBL26453664 0.82 CARM1 (0.76) CARM1NNMTAHCYDOT1LNSD2
SCHEMBL16154100 0.81 CARM1 (0.75) CARM1NNMTAHCYDOT1LNSD2
SCHEMBL21342596 0.81 CARM1 (1.00) CARM1NNMTDOT1LDNMT1DNMT3B
SCHEMBL21343829 0.81 CARM1 (1.00) CARM1NNMTDOT1LDNMT1DNMT3B
SCHEMBL26453306 0.81 CARM1 (0.88) CARM1NNMTAHCYDOT1LNSD2

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
WO-2018053313-A1 ADENOSINE ANALOGS AS METHYLTRANSFERASE INHIBITORS FOR TREATING CANCER MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2018-03-22 WO disclosed