SCHEMBL7709407

SCHEMBL7709407

O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 14/20 1.00
MEN1 O00255 13/20 1.00
NPC1 O15118 7/20 1.00
RAB9A P51151 5/20 1.00
POLB P06746 9/20 0.65
NPSR1 Q6W5P4 5/20 0.65
CCR6 P51684 3/20 0.65
S1PR4 O95977 3/20 0.65
S1PR1 P21453 3/20 0.65
XBP1 P17861 2/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 7/20 0.60
HTT P42858 5/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
AGTR1 P30556 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
ERCC1 P07992 2/20 0.58
FEN1 P39748 2/20 0.58
ERCC4 Q92889 2/20 0.58
CYP1A2 P05177 1/20 0.58

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
SCHEMBL8618712 0.84 MEN1 (0.73) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL7709662 0.82 KMT2A (0.69) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL14257646 0.82 MEN1 (0.69) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL10261656 0.81 MEN1 (0.68) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL29903439 0.81 MEN1 (0.68) KMT2AMEN1NPC1RAB9APOLB
Ammonia Solution, Strong SCHEMBL6416651 0.81 MEN1 (0.68) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL10018568 0.81 MEN1 (0.68) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL13495357 0.81 MEN1 (0.68) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL16213360 0.81 KMT2A (0.68) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL5116137 0.80 MEN1 (0.67) KMT2AMEN1NPC1RAB9APOLB

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