SCHEMBL19983537

SCHEMBL19983537

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[C@H](CC[C@H](N)C(=O)NCCc2ccc(I)cc2)CNCc2ccccc2)[C@H](O)[C@@H]1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.85
NNMT P40261 4/20 0.57
DOT1L Q8TEK3 3/20 0.54
TRDMT1 O14717 2/20 0.54
WDR5 P61964 1/20 0.54
KMT2A Q03164 1/20 0.54
RBBP5 Q15291 1/20 0.54
DPY30 Q9C005 1/20 0.54
ASH2L Q9UBL3 1/20 0.54
NSD2 O96028 2/20 0.54
PCMT1 P22061 2/20 0.54
SETD7 Q8WTS6 2/20 0.54
PRMT5 O14744 1/20 0.54
RNMT O43148 1/20 0.54
INMT O95050 1/20 0.54
TPMT P51580 1/20 0.54
METTL3 Q86U44 1/20 0.54
EHMT2 Q96KQ7 1/20 0.54
NSD1 Q96L73 1/20 0.54
PRMT1 Q99873 1/20 0.54

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
SCHEMBL21343829 0.92 CARM1 (1.00) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL21342596 0.92 CARM1 (1.00) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL19983595 0.89 CARM1 (0.77) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL16156831 0.88 CARM1 (1.00) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL14906024 0.88 CARM1 (1.00) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL19983489 0.88 CARM1 (1.00) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL21342654 0.86 CARM1 (0.75) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL26453306 0.85 CARM1 (0.88) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL21343826 0.83 CARM1 (0.84) CARM1NNMTDOT1LTRDMT1WDR5
SCHEMBL19983458 0.83 CARM1 (0.75) CARM1NNMTDOT1LTRDMT1NSD2

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