SCHEMBL7709794

SCHEMBL7709794

O=C1OC(=O)c2cc(Cl)c(Cl)c3cccc1c23

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYMS P04818 6/20 0.66
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
ALOX15 P16050 1/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
ERCC1 P07992 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL7709652 0.84 TYMS (0.64) TYMSTDP1KDM4EALDH1A1ALOX15
SCHEMBL7709571 0.83 TYMS (0.57) TYMSTDP1KDM4EALDH1A1ALOX15
SCHEMBL212889 0.79 TYMS (1.00) TYMSTDP1KDM4EALDH1A1ALOX15
SCHEMBL29478287 0.79 TYMS (1.00) TYMSTDP1KDM4EALDH1A1ALOX15
SCHEMBL29486055 0.79 TYMS (1.00) TYMSTDP1KDM4EALDH1A1ALOX15
SCHEMBL7709612 0.78 TYMS (0.51) TYMSTDP1KDM4EALDH1A1CYP1A2
SCHEMBL14463947 0.75 KDM4E (0.69) TDP1KDM4EALDH1A1CYP1A2POLB
SCHEMBL7706682 0.75 MAPT (0.69) TYMSTDP1KDM4EALDH1A1CYP1A2
SCHEMBL7709637 0.75 TYMS (0.48) TYMSKDM4EALDH1A1MAPTHPGD
SCHEMBL10267341 0.74 TYMS (0.70) TYMSTDP1KDM4EALDH1A1ALOX15

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