SCHEMBL7709925

SCHEMBL7709925

O=C1c2cccc3cc(OCCO)cc(c23)C(=O)N1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 2/20 0.55
FEN1 P39748 2/20 0.55
ERCC4 Q92889 2/20 0.55
HEXA P06865 4/20 0.46
HEXB P07686 4/20 0.46
RAD52 P43351 1/20 0.44
NTRK1 P04629 1/20 0.41
NGFR P08138 1/20 0.41
MPO P05164 1/20 0.40
CYP1B1 Q16678 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
XBP1 P17861 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
SCHEMBL28870673 0.87 ERCC1 (0.53) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL7709966 0.86 ERCC1 (0.51) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL7706739 0.85 ERCC1 (0.57) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL7709551 0.85 ERCC1 (0.50) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL13829105 0.85 ERCC1 (0.50) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL13829160 0.84 ERCC1 (0.49) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL7706696 0.84 RXFP1 (0.54) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL7709804 0.80 ERCC1 (0.62) ERCC1FEN1ERCC4HEXAHEXB
SCHEMBL28710932 0.74 ALDH1A1 (0.50) CYP1B1MAPTKDM4EALDH1A1KMT2A
SCHEMBL22981966 0.74 TDP1 (0.56) HEXAHEXBRAD52MPOCYP1B1

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 7 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 claimed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP claimed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO claimed
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