SCHEMBL7914645

SCHEMBL7914645

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRDMT1 O14717 1/20 0.37
NT5E P21589 1/20 0.37
CARM1 Q86X55 2/20 0.37
NNMT P40261 1/20 0.36
STING1 Q86WV6 2/20 0.36
DOT1L Q8TEK3 2/20 0.35
ADORA1 P30542 2/20 0.35
TYMP P19971 1/20 0.35
P2RX3 P56373 1/20 0.34
P2RX4 Q99571 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
AHCY P23526 1/20 0.34

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
SCHEMBL6895651 0.91 AHCY (0.35) TRDMT1CARM1NNMTDOT1LP2RX3
SCHEMBL6898692 0.90 AHCY (0.35) TRDMT1CARM1NNMTDOT1LAHCY
SCHEMBL5403467 0.88 TRDMT1 (0.35) TRDMT1CARM1NNMTADORA1TYMP
SCHEMBL5501797 0.88 CARM1 (0.33) TRDMT1CARM1NNMTDOT1LADORA1
SCHEMBL2349739 0.87 TRDMT1 (0.35) TRDMT1CARM1NNMTADORA1TYMP
SCHEMBL7050370 0.87 NNMT (0.34) TRDMT1CARM1NNMTDOT1LADORA1
SCHEMBL7920985 0.87 P2RX3 (0.33) TRDMT1CARM1NNMTDOT1LP2RX3
SCHEMBL7922845 0.87 CARM1 (0.33) TRDMT1CARM1NNMTDOT1LADORA1
SCHEMBL4557136 0.86 NNMT (0.34) TRDMT1CARM1NNMTDOT1LADORA1
SCHEMBL2109084 0.86 TRDMT1 (0.36) TRDMT1CARM1NNMTDOT1LADORA1

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-6262241-B1 ANTISENSE COMPOUNDS WHICH CLEAVE PHOSPHORODIESTER BONDS AND IMPROVE PHARMACODYNAMIC AND PHARMACOKINETIC PROPERTIES OF OLIGONUCLEOTIDES, USEFUL IN DIAGNOSING DISEASES ISIS PHARMACEUTICALS, INC. 2001-07-17 US disclosed