SCHEMBL8583121

SCHEMBL8583121

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.39
P2RX4 Q99571 2/20 0.39
P2RX2 Q9UBL9 2/20 0.39
TRDMT1 O14717 2/20 0.38
NNMT P40261 3/20 0.37
CARM1 Q86X55 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 2/20 0.36
ENPP1 P22413 1/20 0.36
P2RX6 O15547 1/20 0.36
P2RX1 P51575 1/20 0.36
P2RX5 Q93086 1/20 0.36
P2RY11 Q96G91 1/20 0.36
P2RX7 Q99572 1/20 0.36
DOT1L Q8TEK3 1/20 0.35

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
SCHEMBL7914645 0.84 TRDMT1 (0.37) P2RX3P2RX4P2RX2TRDMT1NNMT
SCHEMBL6895651 0.84 AHCY (0.35) P2RX3P2RX4P2RX2TRDMT1NNMT
SCHEMBL8970099 0.84 TYMP (0.34) TRDMT1NNMTADORA1
SCHEMBL6898692 0.84 AHCY (0.35) TRDMT1NNMTCARM1DOT1L
SCHEMBL1582963 0.83 TRDMT1 (0.34) TRDMT1NNMTCARM1ADORA3ADORA1
SCHEMBL2109084 0.82 TRDMT1 (0.36) TRDMT1NNMTCARM1ADORA1DOT1L
SCHEMBL15879332 0.82 TRDMT1 (0.36) TRDMT1NNMTCARM1ADORA1DOT1L
SCHEMBL5403467 0.81 TRDMT1 (0.35) P2RX3P2RX4P2RX2TRDMT1NNMT
SCHEMBL5501797 0.81 CARM1 (0.33) P2RX3P2RX4P2RX2TRDMT1NNMT
SCHEMBL7050370 0.81 NNMT (0.34) P2RX3P2RX4P2RX2TRDMT1NNMT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735899-A4 SYNTHETIC OLIGOMERS HAVING PHOSPHONATE INTERNUCLEOSIDYL LINKAGES OF UNDEFINED CHIRALITY MIXED WITH NON-PHOSPHONATE INTERNUCLEOSIDYL LINKAGES GENTA INC (US) 1998-10-21 EP disclosed
EP-0735899-A1 SYNTHETIC OLIGOMERS HAVING PHOSPHONATE INTERNUCLEOSIDYL LINKAGES OF UNDEFINED CHIRALITY MIXED WITH NON-PHOSPHONATE INTERNUCLEOSIDYL LINKAGES GENTA INCORPORATED (US) 1996-10-09 EP disclosed
WO-1995013833-A1 SYNTHETIC OLIGOMERS HAVING PHOSPHONATE INTERNUCLEOSIDYL LINKAGES OF UNDEFINED CHIRALITY MIXED WITH NON-PHOSPHONATE INTERNUCLEOSIDYL LINKAGES GENTA INCORPORATED (US) 1995-05-26 WO disclosed