SCHEMBL7709930

SCHEMBL7709930

O=C1c2cccc3c([N+](=O)[O-])c(Br)cc(c23)C(=O)N1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.60
MEN1 O00255 11/20 0.60
NPC1 O15118 5/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 7/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 7/20 0.48
ERCC1 P07992 2/20 0.48
FEN1 P39748 2/20 0.48
ERCC4 Q92889 2/20 0.48
CYP1A2 P05177 2/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HTT P42858 6/20 0.45
LMNA P02545 4/20 0.45
XBP1 P17861 3/20 0.45
PABPC1 P11940 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45

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
SCHEMBL7709580 0.85 KMT2A (0.68) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7706730 0.81 KMT2A (0.61) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL16989808 0.80 HKDC1 (0.54) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL1133994 0.79 TYMS (0.44) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7709646 0.78 MEN1 (0.53) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7706709 0.78 MEN1 (0.46) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7709602 0.77 HKDC1 (0.59) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7709407 0.76 KMT2A (1.00) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7709559 0.75 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL7709773 0.75 POLB (0.61) KMT2AMEN1NPC1RAB9AMAPT

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