SCHEMBL8323453

SCHEMBL8323453

CCCc1c(CNc2ccc(C(=O)N[C@H](CCC(=O)OCC)C(=O)OCC)cc2)cnc2nc(N)nc(N)c12

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DHFR P00374 7/20 0.52

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
SCHEMBL8323452 1.00 DHFR (0.52) DHFR
SCHEMBL8328282 0.96 DHFR (0.54) DHFR
SCHEMBL8328276 0.96 DHFR (0.54) DHFR
SCHEMBL12692389 0.91 DHFR (0.55) DHFR
SCHEMBL8318241 0.87 DHFR (0.55) DHFR
SCHEMBL9067311 0.84 DHFR (0.54) DHFR
SCHEMBL10379292 0.83 DHFR (0.49) DHFR
SCHEMBL10378409 0.82 DHFR (0.50) DHFR
SCHEMBL10688663 0.81 DHFR (0.55) DHFR
SCHEMBL14027571 0.81 DHFR (0.55) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0638079-B1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION STANFORD RES INST INT (US) 1999-12-15 EP disclosed
US-5536724-A Antiinflammatory and antineoplastic 5-deazaaminopterins and 5,10-dideazaaminopterins SRI INTERNATIONAL (US) 1996-07-16 US disclosed
WO-1993022312-A1 DEAZAAMINOPTERINS FOR TREATMENT OF INFLAMMATION SRI INTERNATIONAL (US) 1993-11-11 WO disclosed