SCHEMBL7706709

SCHEMBL7706709

O=C1c2cccc3c([N+](=O)[O-])c(Br)cc(c23)C(=O)N1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.46
KMT2A Q03164 8/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 5/20 0.44
CYP1B1 Q16678 6/20 0.43
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
HSPD1 P10809 1/20 0.37
HSPE1 P61604 1/20 0.37
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CCR6 P51684 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL7703716 0.87 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7709560 0.85 ALDH1A1 (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7703721 0.80 CYP1B1 (0.46) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7712197 0.80 CYP1B1 (0.65) MEN1KMT2AMAPTALDH1A1CYP1B1
SCHEMBL7706804 0.78 HTT (0.47) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7709930 0.78 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7706731 0.77 CYP1B1 (0.45) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7712257 0.77 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7706752 0.77 CYP1B1 (0.44) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7709423 0.76 NTRK1 (0.57) MEN1KMT2AMAPTALDH1A1HTT

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