SCHEMBL15048538

SCHEMBL15048538

COc1ccc(C(OC(C(C)=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](OCOCC(C(F)(F)F)C(F)(F)F)[C@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.34
TRDMT1 O14717 2/20 0.34
NNMT P40261 2/20 0.34
DOT1L Q8TEK3 2/20 0.33
TYMP P19971 1/20 0.33
ADORA1 P30542 2/20 0.33
AHCY P23526 1/20 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
SCHEMBL2213753 1.00 CARM1 (0.34) CARM1TRDMT1NNMTDOT1LTYMP
SCHEMBL2109084 0.94 TRDMT1 (0.36) CARM1TRDMT1NNMTDOT1LTYMP
SCHEMBL15879332 0.93 TRDMT1 (0.36) CARM1TRDMT1NNMTDOT1LTYMP
SCHEMBL2218923 0.86
SCHEMBL6895651 0.85 AHCY (0.35) CARM1TRDMT1NNMTDOT1LAHCY
SCHEMBL6898692 0.84 AHCY (0.35) CARM1TRDMT1NNMTDOT1LAHCY
SCHEMBL2215519 0.84 HPGD (0.35) TYMP
SCHEMBL1317492 0.84 CARM1 (0.34) CARM1TRDMT1NNMTDOT1LTYMP
SCHEMBL7914645 0.84 TRDMT1 (0.37) CARM1TRDMT1NNMTDOT1LTYMP
SCHEMBL2214159 0.84 ADORA1 (0.42) CARM1TRDMT1NNMTTYMPADORA1

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
US-8470987-B2 Protective group for synthesis of RNA and derivative CHIRALGEN, LTD. (JP) 2013-06-25 US disclosed