SCHEMBL8726314

SCHEMBL8726314

CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cc1F

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.49
CA1 P00915 9/20 0.49
TYMS P04818 7/20 0.44
CA12 O43570 3/20 0.41
CA9 Q16790 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.39

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
SCHEMBL8726218 0.96 CA2 (0.48) CA2CA1TYMSCA12CA9
SCHEMBL2638361 0.93 TYMS (0.51) CA2CA1TYMSCA12CA9
SCHEMBL2638442 0.88 TYMS (0.48) CA2CA1TYMSCA12CA9
SCHEMBL8721870 0.83 CA2 (0.53) CA2CA1TYMSCA12CA9
SCHEMBL8722810 0.80 TYMS (0.36) TYMS
SCHEMBL6510354 0.80 CA2 (0.53) CA2CA1TYMSCA12CA9
SCHEMBL8726214 0.76 CA2 (0.56) CA2CA1TYMSCA12CA9
SCHEMBL2638767 0.75 TYMS (0.53) CA2CA1TYMSCA12CA9
SCHEMBL28905229 0.75 TYMS (0.53) CA2CA1TYMSCA12CA9
SCHEMBL887827 0.72 CA2 (0.52) CA2CA1TYMSCA12CA9

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-0696270-B1 4-AMINO-FLUOROBENZAMIDES AND THEIR USE AS CYTOTOXIC PRODRUGS CANCER RES CAMPAIGN TECH (GB) 1998-11-04 EP claimed