SCHEMBL7922845

SCHEMBL7922845

CCC(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)c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.33
TRDMT1 O14717 1/20 0.33
NNMT P40261 5/20 0.33
P2RX3 P56373 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX2 Q9UBL9 1/20 0.32
DOT1L Q8TEK3 1/20 0.32
TYMP P19971 1/20 0.31
ADORA1 P30542 2/20 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
SCHEMBL7920985 0.91 P2RX3 (0.33) CARM1TRDMT1NNMTP2RX3P2RX4
SCHEMBL6895651 0.87 AHCY (0.35) CARM1TRDMT1NNMTP2RX3P2RX4
SCHEMBL6898692 0.87 AHCY (0.35) CARM1TRDMT1NNMTDOT1L
SCHEMBL7050370 0.87 NNMT (0.34) CARM1TRDMT1NNMTP2RX3P2RX4
SCHEMBL7914645 0.87 TRDMT1 (0.37) CARM1TRDMT1NNMTP2RX3P2RX4
SCHEMBL4557136 0.85 NNMT (0.34) CARM1TRDMT1NNMTP2RX3P2RX4
SCHEMBL5501797 0.83 CARM1 (0.33) CARM1TRDMT1NNMTP2RX3P2RX4
SCHEMBL2109084 0.82 TRDMT1 (0.36) CARM1TRDMT1NNMTDOT1LTYMP
SCHEMBL5403467 0.82 TRDMT1 (0.35) CARM1TRDMT1NNMTP2RX3P2RX4
SCHEMBL15879332 0.81 TRDMT1 (0.36) CARM1TRDMT1NNMTDOT1LTYMP

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