SCHEMBL7922128

SCHEMBL7922128

COc1ccc(C(c2ccccc2)(c2ccc(OC)cc2)C(O)[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NNCCCC(=O)C(F)(F)F)nc43)C[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
TYMP P19971 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
SCHEMBL17222397 0.88 KDM4E (0.47) KDM4ETYMP
SCHEMBL442576 0.85 KDM4E (0.38) KDM4ETYMP
SCHEMBL6275071 0.84 KDM4E (0.38) KDM4ETYMP
SCHEMBL6930727 0.78 KDM4E (0.38) KDM4ETYMP
SCHEMBL7197818 0.78 KDM4E (0.48) KDM4ETYMP
SCHEMBL12765886 0.78 KDM4E (0.48) KDM4ETYMP
SCHEMBL441412 0.78 ADORA2A (0.35)
SCHEMBL5408372 0.78 TYMP (0.37) KDM4ETYMP
SCHEMBL14764054 0.77 TYMS (0.34)
SCHEMBL6929037 0.77 KDM4E (0.38) KDM4ETYMP

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-6232463-B1 CROSSLINKING OLIGONUCLEOTIDES CONTAINING PURINE ANALOGS HAVING REACTIVE SITES ON THE NUCLEOBASE AND ON A SUGAR MOIETY; ANTISENSE AGENTS ISIS PHARMACEUTICALS, INC. 2001-05-15 US disclosed