SCHEMBL8873503

SCHEMBL8873503

COC(=O)c1ccc(C(CO)Cc2ccc3nc(N)[nH]c(=O)c3c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.46
FPGS Q05932 2/20 0.45
TYMS P04818 2/20 0.43
TNKS O95271 1/20 0.41

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
SCHEMBL8874179 0.85 DHFR (0.45) DHFRFPGSTYMSTNKS
SCHEMBL8872977 0.84 QTRT1 (0.49) DHFRFPGSTYMS
SCHEMBL4753487 0.79 TNKS (0.51) DHFRFPGSTYMSTNKS
SCHEMBL30097387 0.78 DHFR (0.59) DHFRTYMS
SCHEMBL2117452 0.72 KDM4E (0.54) TYMSTNKS
SCHEMBL8872792 0.70 SMN1; SMN2 (0.39) TYMSTNKS
SCHEMBL9954708 0.69 TYMS (0.50) DHFRFPGSTYMS
SCHEMBL10597190 0.69 LOXL2 (0.58)
SCHEMBL28787846 0.69 TYMS (0.54) DHFRFPGSTYMS
SCHEMBL409345 0.68 DHFR (0.60) DHFRFPGSTYMS

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-5593999-A Non-classical folate analogue inhibitors of glycinamide ribonucleotide formyltransferase (GARFT) NAIR MADHAVAN G (US) 1997-01-14 US disclosed