SCHEMBL8722824

SCHEMBL8722824

CC(C)(C)OC(=O)CC[C@H](NC(=O)c1ccc(N(CCCl)CCCl)cc1F)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TYMS P04818 12/20 0.37
LMNA P02545 1/20 0.35

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
SCHEMBL8723947 0.86 TYMS (0.35) TYMS
SCHEMBL9751830 0.85 EGFR (0.45) LMNA
SCHEMBL8722803 0.84 TYMS (0.38) TYMS
SCHEMBL8721880 0.82 ALOX5 (0.36) TYMS
SCHEMBL9228554 0.82 ALOX5 (0.36) TYMS
SCHEMBL9782470 0.82 ALOX5 (0.36) TYMS
SCHEMBL6885648 0.81 TYMS (0.47) TYMS
SCHEMBL7906473 0.81 KMT2A (0.52) LMNA
SCHEMBL6885924 0.81 TYMS (0.37) TYMS
SCHEMBL6885928 0.81 TYMS (0.37) TYMS

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 disclosed