Sugi Predict

Sugi Predict / Compounds / SCHEMBL6898692

SCHEMBL6898692

SCHEMBL6898692

CCCCCCCCCO[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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 1/20 0.35
▸ TRDMT1 O14717 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ NNMT P40261 1/20 0.35
▸ 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
SCHEMBL6895651 0.99 AHCY (0.35) AHCYTRDMT1CARM1NNMTDOT1L
SCHEMBL7914645 0.90 TRDMT1 (0.37) AHCYTRDMT1CARM1NNMTDOT1L
SCHEMBL5501797 0.89 CARM1 (0.33) TRDMT1CARM1NNMTDOT1L
SCHEMBL2109084 0.88 TRDMT1 (0.36) AHCYTRDMT1CARM1NNMTDOT1L
SCHEMBL4557136 0.88 NNMT (0.34) TRDMT1CARM1NNMTDOT1L
SCHEMBL7050370 0.87 NNMT (0.34) TRDMT1CARM1NNMTDOT1L
SCHEMBL7922845 0.87 CARM1 (0.33) TRDMT1CARM1NNMTDOT1L
SCHEMBL7920985 0.87 P2RX3 (0.33) AHCYTRDMT1CARM1NNMTDOT1L
SCHEMBL15879332 0.87 TRDMT1 (0.36) AHCYTRDMT1CARM1NNMTDOT1L
SCHEMBL1582963 0.86 TRDMT1 (0.34) AHCYTRDMT1CARM1NNMTDOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604409-B1 OLIGONUCLEOTIDE ANALOGS FOR DETECTING AND MODULATING RNA ACTIVITY AND GENE EXPRESSION ISIS PHARMACEUTICALS INC (US) 2004-07-14 — — EP disclosed
EP-1418179-A2 Compositions and methods for detecting and modulating rna activity and gene expression ISIS PHARMACEUTICALS, INC. (US) 2004-05-12 — — EP 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