SCHEMBL7706723

SCHEMBL7706723

O=C1OC(=O)c2cc(OS(=O)(=O)C(F)(F)F)cc3cccc1c23

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TYMS P04818 16/20 0.49

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
SCHEMBL7709769 0.80 ERCC1 (0.53)
SCHEMBL23518948 0.78 TYMS (0.46) TYMS
SCHEMBL7709415 0.76 TYMS (0.58) TYMS
SCHEMBL24329989 0.76 ATG4B (0.43)
SCHEMBL21114327 0.73 ALDH1A1 (0.37)
SCHEMBL7709455 0.72 TYMS (0.53) TYMS
SCHEMBL4957627 0.72 TYMS (0.67) TYMS
SCHEMBL17726923 0.71 KMT2A (0.54) TYMS
SCHEMBL3374741 0.71 DRD2 (0.44) TYMS
SCHEMBL30662165 0.71 TYMS (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed