SCHEMBL7703729

SCHEMBL7703729

CC(C)(C)ON1C(=O)c2cccc3c(Cl)c([N+](=O)[O-])cc(c23)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.44
KMT2A Q03164 13/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TLR9 Q9NR96 3/20 0.41
NPSR1 Q6W5P4 6/20 0.41
AGTR1 P30556 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 4/20 0.40
PABPC1 P11940 2/20 0.40

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
SCHEMBL7703735 0.83 KDM4E (0.44) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7709480 0.81 ALDH1A1 (0.62) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7703381 0.78 BCHE (0.39) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7709865 0.75 ALDH1A1 (0.37) MEN1KMT2AMAPTSMN1; SMN2HPGD
SCHEMBL7706744 0.75 ALDH1A1 (0.46) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL7709612 0.73 TYMS (0.51) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7709632 0.71 CYP1B1 (0.58) MEN1KMT2ANPC1MAPTL3MBTL1
SCHEMBL7712213 0.70 PRMT1 (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL13495357 0.70 MEN1 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL7703689 0.68 ALDH1A1 (0.41) MEN1KMT2ARAB9AMAPTSMN1; SMN2

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 2 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