SCHEMBL19983463

SCHEMBL19983463

CC(CNCc1ccccc1)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 4/20 0.73
AHCY P23526 1/20 0.60
ATM Q13315 1/20 0.59
NSD2 O96028 2/20 0.58
DOT1L Q8TEK3 5/20 0.58
EHMT2 Q96KQ7 4/20 0.57
ADORA1 P30542 3/20 0.57
ADORA3 P0DMS8 2/20 0.57
DPP4 P27487 1/20 0.57
MEN1 O00255 1/20 0.57
SLC28A1 O00337 1/20 0.57
MAP3K7 O43318 1/20 0.57
SLC28A2 O43868 1/20 0.57
GAPDH P04406 1/20 0.57
MAPK1 P28482 1/20 0.57
ADORA2A P29274 1/20 0.57
ADORA2B P29275 1/20 0.57
STAT6 P42226 1/20 0.57
PI4KA P42356 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL19983432 1.00 CARM1 (0.73) CARM1AHCYATMNSD2DOT1L
SCHEMBL6900816 0.86 ATM (0.76) CARM1AHCYATMDOT1LADORA1
SCHEMBL14906024 0.84 CARM1 (1.00) CARM1NSD2DOT1LEHMT2KMT2A
SCHEMBL19983489 0.84 CARM1 (1.00) CARM1NSD2DOT1LEHMT2KMT2A
SCHEMBL16156831 0.84 CARM1 (1.00) CARM1NSD2DOT1LEHMT2KMT2A
SCHEMBL19983490 0.84 CARM1 (0.82) CARM1AHCYNSD2DOT1LEHMT2
SCHEMBL16154100 0.82 CARM1 (0.75) CARM1AHCYNSD2DOT1LEHMT2
SCHEMBL26453664 0.82 CARM1 (0.76) CARM1AHCYNSD2DOT1LEHMT2
SCHEMBL19111312 0.81 AMD1 (0.67) CARM1AHCYATMDOT1LKMT2A
SCHEMBL19760477 0.81 DOT1L (0.74) CARM1AHCYNSD2DOT1LEHMT2

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