SCHEMBL6929166

SCHEMBL6929166

CCCCCO[C@@H]1[C@H](OP(OCCC#N)N(C(C)C)C(C)C)[C@@H](C(O)C(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)O[C@H]1n1cnc2c(=O)[nH]c(NC(=O)C(C)C)nc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
TYMP P19971 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL6934734 0.99 KDM4E (0.37) KDM4ETYMPALDH1A1MEN1KMT2A
SCHEMBL6929037 0.96 KDM4E (0.38) KDM4ETYMPALDH1A1MEN1KMT2A
SCHEMBL6930727 0.94 KDM4E (0.38) KDM4ETYMPALDH1A1MEN1KMT2A
SCHEMBL6933233 0.89 KDM4E (0.35) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL25233120 0.89 TYMP (0.42) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL26677042 0.89 TYMP (0.42) KDM4ETYMPALDH1A1TAS1R3TAS1R1
SCHEMBL5962998 0.89 KDM4E (0.37) KDM4ETYMPALDH1A1MEN1KMT2A
SCHEMBL5963301 0.88 KDM4E (0.37) KDM4ETYMPALDH1A1MEN1KMT2A
SCHEMBL17222397 0.87 KDM4E (0.47) KDM4ETYMPTAS1R3TAS1R1TAAR1
SCHEMBL5963153 0.85 TYMP (0.42) KDM4ETYMPALDH1A1MEN1KMT2A

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 6 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-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