SCHEMBL31490169

SCHEMBL31490169

C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)O)cc1

nearest known ligand 0.87

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DHFR P00374 8/20 0.87
TYMS P04818 2/20 0.61

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
SCHEMBL7263046 1.00 DHFR (0.87) DHFRTYMS
SCHEMBL9823308 0.93 DHFR (1.00) DHFRTYMS
SCHEMBL9823269 0.92 DHFR (1.00) DHFRTYMS
SCHEMBL18163402 0.90 DHFR (0.80) DHFRTYMS
SCHEMBL9823412 0.90 DHFR (1.00) DHFRTYMS
SCHEMBL9088375 0.88 TYMS (0.79) DHFRTYMS
SCHEMBL9823099 0.88 DHFR (0.78) DHFRTYMS
SCHEMBL14550680 0.88 DHFR (0.79) DHFRTYMS
SCHEMBL9823192 0.88 DHFR (0.81) DHFRTYMS
SCHEMBL9823716 0.88 DHFR (0.81) DHFRTYMS

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
EP-2349274-B1 FOLATE RECEPTOR BINDING CONJUGATES OF ANTIFOLATES ENDOCYTE INC (US) 2025-04-09 EP disclosed