SCHEMBL7709442

SCHEMBL7709442

O=C1OC(=O)c2cc([N+](=O)[O-])c(O)c3cc([N+](=O)[O-])cc1c23

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GPR35 Q9HC97 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 2/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TTR P02766 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
RECQL P46063 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CASP6 P55212 1/20 0.39
HTT P42858 2/20 0.38

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
SCHEMBL7712178 0.82 ALDH1A1 (0.47) ALDH1A1GPR35MEN1KMT2AKDM4E
SCHEMBL5142990 0.81 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL7708955 0.76 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7709521 0.75 ALDH1A1 (0.49) ALDH1A1GPR35HSD17B10TDP1TYMS
SCHEMBL3276659 0.74 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9077637 0.73 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7709389 0.73 TYMS (0.55) ALDH1A1HSD17B10CYP1A2HIF1ATDP1
SCHEMBL9077278 0.72 ALDH1A1 (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9038868 0.71 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL30631737 0.71 ALDH1A1 (0.56) ALDH1A1GPR35MEN1KMT2AKDM4E

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