SCHEMBL6930727

SCHEMBL6930727

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[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 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
TYMP P19971 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAAR1 Q96RJ0 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL6929037 0.95 KDM4E (0.38) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL6929166 0.94 KDM4E (0.37) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL6934734 0.93 KDM4E (0.37) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL6933233 0.91 KDM4E (0.35) KDM4ETYMPTAS1R3TAS1R1ALDH1A1
SCHEMBL17222397 0.90 KDM4E (0.47) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL23138150 0.89 TYMP (0.45) KDM4ETYMPTAS1R3TAS1R1HPGD
SCHEMBL668619 0.89 TYMP (0.45) KDM4ETYMPTAS1R3TAS1R1HPGD
SCHEMBL5963034 0.88 KDM4E (0.38) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL26534796 0.86 TYMP (0.40) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL6274861 0.85 TYMP (0.33) KDM4ETYMPTAAR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651759-B1 NOVEL 2'-O-ALKYL NUCLEOSIDES AND PHOSPHORAMIDITES PROCESSES FOR THE PREPARATION AND USES THEREOF ISIS PHARMACEUTICALS INC (US) 2003-12-10 EP disclosed
EP-1223173-A2 Novel 2'-O-alkyl nucleosides and phosphoramidites processes for the preparation and uses thereof ISIS PHARMACEUTICALS, INC. (US) 2002-07-17 EP disclosed
US-6242592-B1 Process for the preparation of 2′-O-alkyl-guanosine, cytidine, and uridine phosphoramidites ISIS PHARMACEUTICALS, INC. 2001-06-05 US disclosed
US-6133438-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 2000-10-17 US disclosed
US-5914396-A 2'-O-modified nucleosides and phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-06-22 US disclosed
US-5856466-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMACEUTICALS, INC. (US) 1999-01-05 US disclosed
US-5646265-A Process for the preparation of 2'-O-alkyl purine phosphoramidites ISIS PHARMCEUTICALS, INC. (US) 1997-07-08 US disclosed