SCHEMBL7703718

SCHEMBL7703718

Nc1cc2c3c(cc(N)cc3c1)C(=O)N(O)C2=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.51
ERCC1 P07992 2/20 0.48
FEN1 P39748 2/20 0.48
ERCC4 Q92889 2/20 0.48
CYP2D6 P10635 1/20 0.41
FTO Q9C0B1 1/20 0.41
POLB P06746 4/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
AHR P35869 1/20 0.40
RECQL P46063 1/20 0.40
CYP1A2 P05177 2/20 0.39
TNNI3 P19429 1/20 0.39
MAPK1 P28482 1/20 0.39
STAT6 P42226 1/20 0.39
TNNT2 P45379 1/20 0.39
TNNC1 P63316 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
SCHEMBL7703805 0.86 MPO (0.73) MPOERCC1FEN1ERCC4CYP2D6
SCHEMBL12713413 0.77 MPO (0.43) MPOERCC1FEN1ERCC4CYP2D6
SCHEMBL7712249 0.74 MAPT (0.45) MPOERCC1FEN1ERCC4CYP2D6
SCHEMBL42876 0.72 ALDH1A1 (0.55) ERCC1FEN1ERCC4POLBKMT2A
SCHEMBL3855322 0.72 MEN1 (0.55) MPOCYP2D6FTOPOLBKMT2A
SCHEMBL3851928 0.70 MEN1 (0.68) MPOCYP2D6FTOPOLBKMT2A
SCHEMBL28781805 0.70 PARP1 (0.45) MPOCYP2D6FTOPOLBKMT2A
SCHEMBL7709452 0.69 MEN1 (0.58) ERCC1FEN1ERCC4FTOPOLB
SCHEMBL5166753 0.69 CA9 (0.49) MPOPOLBKMT2AMEN1RAB9A
SCHEMBL3850344 0.69 CYP2D6 (0.46) MPOCYP2D6FTOPOLBKMT2A

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