SCHEMBL4557136

SCHEMBL4557136

CCCC(O[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](C(OC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)C(=O)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21)n1ccnc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.34
CARM1 Q86X55 2/20 0.34
TRDMT1 O14717 2/20 0.34
P2RX3 P56373 1/20 0.33
P2RX4 Q99571 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
DOT1L Q8TEK3 2/20 0.32
TYMP P19971 1/20 0.31
ADORA1 P30542 2/20 0.31
SMYD3 Q9H7B4 1/20 0.31
SETD2 Q9BYW2 1/20 0.31

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
SCHEMBL7050370 0.96 NNMT (0.34) NNMTCARM1TRDMT1P2RX3P2RX4
SCHEMBL6895651 0.88 AHCY (0.35) NNMTCARM1TRDMT1P2RX3P2RX4
SCHEMBL6898692 0.88 AHCY (0.35) NNMTCARM1TRDMT1DOT1L
SCHEMBL7914645 0.86 TRDMT1 (0.37) NNMTCARM1TRDMT1P2RX3P2RX4
SCHEMBL7920985 0.85 P2RX3 (0.33) NNMTCARM1TRDMT1P2RX3P2RX4
SCHEMBL7922845 0.85 CARM1 (0.33) NNMTCARM1TRDMT1P2RX3P2RX4
SCHEMBL7254352 0.83 TYMP (0.37) TYMPADORA1
SCHEMBL5501797 0.83 CARM1 (0.33) NNMTCARM1TRDMT1P2RX3P2RX4
SCHEMBL5403467 0.83 TRDMT1 (0.35) NNMTCARM1TRDMT1P2RX3P2RX4
SCHEMBL2109084 0.82 TRDMT1 (0.36) NNMTCARM1TRDMT1DOT1LTYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090198047-A1 2'-Modified Oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2009-08-06 US disclosed
US-7138517-B2 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-20030187240-A1 2' -modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-10-02 US disclosed
US-20030004325-A1 Sugar modified oligonucleotides ISIS PHARMACEUTICALS, INC. 2003-01-02 US disclosed
US-6399754-B1 CONTAINING SULFOPHOSPHATE GROUP ISIS PHARMACEUTICALS, INC. 2002-06-04 US disclosed