SCHEMBL7712249

SCHEMBL7712249

COc1ccc2cc(N)cc3c2c1C(=O)N(O)C3=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
KDM4E B2RXH2 4/20 0.45
POLB P06746 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.45
PABPC1 P11940 1/20 0.45
XBP1 P17861 1/20 0.45
NFKB1 P19838 1/20 0.45
HTT P42858 1/20 0.45
SMARCA2 P51531 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MPO P05164 1/20 0.40
CYP2D6 P10635 1/20 0.36
FTO Q9C0B1 1/20 0.36
CYP3A4 P08684 1/20 0.36
MEN1 O00255 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
MAPK1 P28482 2/20 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
SCHEMBL7712333 0.79 KDM4E (0.62) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL7706670 0.75 MAPT (0.40) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL7703718 0.74 MPO (0.51) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL3286114 0.74 CA1 (0.52) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL7703805 0.72 MPO (0.73) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL3285807 0.68 KMT2A (0.59) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL3278153 0.68 ALDH1A1 (0.60) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL12713413 0.68 MPO (0.43) MAPTKMT2AKDM4EPOLBLMNA
SCHEMBL7709779 0.67 MAPT (0.50) MAPTKMT2AKDM4EPOLBALDH1A1
SCHEMBL3285076 0.67 CA1 (0.52) MAPTKMT2AKDM4EPOLBALDH1A1

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 5 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
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