SCHEMBL7706804

SCHEMBL7706804

O=C1c2ccc([N+](=O)[O-])c3cc(Br)cc(c23)C(=O)N1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 11/20 0.42
KMT2A Q03164 11/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 6/20 0.41
MAPT P10636 5/20 0.41
CCR6 P51684 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.40
NPSR1 Q6W5P4 4/20 0.39
S1PR4 O95977 3/20 0.39
S1PR1 P21453 3/20 0.39
HPGD P15428 1/20 0.39
XBP1 P17861 1/20 0.39

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
SCHEMBL7709778 0.81 ALDH1A1 (0.45) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL7706709 0.78 MEN1 (0.46) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL7706694 0.77 MEN1 (0.44) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL7706716 0.76 MAPT (0.57) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7703716 0.74 MEN1 (0.62) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL7712197 0.73 CYP1B1 (0.65) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL7709560 0.72 ALDH1A1 (0.44) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL7709423 0.72 NTRK1 (0.57) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7703726 0.71 S100A4 (0.44) HTTALDH1A1MEN1KMT2ANPC1
SCHEMBL7712257 0.70 MEN1 (0.46) HTTALDH1A1MEN1KMT2ANPC1

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