SCHEMBL7712259

SCHEMBL7712259

O=C1c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C(=O)N1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
KMT2A Q03164 13/20 0.64
MEN1 O00255 12/20 0.64
NPC1 O15118 7/20 0.64
RAB9A P51151 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPT P10636 7/20 0.56
NPSR1 Q6W5P4 4/20 0.56
CYP1A2 P05177 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 5/20 0.49
XBP1 P17861 3/20 0.49
LMNA P02545 3/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 5/20 0.46
ERCC1 P07992 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL7703758 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7709761 0.83 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7709480 0.82 ALDH1A1 (0.62) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL14463542 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7709790 0.80 HTT (0.53) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7709621 0.80 HTT (0.53) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7703849 0.80 HTT (0.53) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL12660329 0.79 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7709407 0.79 KMT2A (1.00) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL7712180 0.79 HTT (0.55) ALDH1A1KMT2AMEN1NPC1RAB9A

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 6 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-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 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