SCHEMBL7709452

SCHEMBL7709452

O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
POLB P06746 5/20 0.58
MAPT P10636 3/20 0.58
CASP6 P55212 2/20 0.58
KDM4E B2RXH2 2/20 0.58
MITF O75030 1/20 0.58
LMNA P02545 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
NTRK1 P04629 1/20 0.49
NGFR P08138 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
FTO Q9C0B1 2/20 0.46
PABPC1 P11940 2/20 0.46
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA9 Q16790 3/20 0.45
RAB9A P51151 2/20 0.45
S1PR1 P21453 1/20 0.45

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
SCHEMBL7703786 0.88 MEN1 (0.67) MEN1KMT2APOLBMAPTCASP6
SCHEMBL12568173 0.82 MEN1 (0.55) MEN1KMT2APOLBMAPTCASP6
SCHEMBL13292107 0.79 PTPRC (0.55) MEN1KMT2APOLBMAPTCASP6
SCHEMBL3139023 0.78 MEN1 (0.51) MEN1KMT2APOLBMAPTCASP6
SCHEMBL3202418 0.76 PTPRC (0.58) MAPTCASP6TDP1CA12CA1
SCHEMBL30781599 0.76 PTPRC (0.58) MAPTCASP6TDP1CA12CA1
SCHEMBL3852391 0.76 FTO (0.53) MEN1KMT2APOLBMAPTCASP6
SCHEMBL29202800 0.75 PTPRC (0.56) MAPTCASP6TDP1CA12CA1
Potassium SCHEMBL30889113 0.75 PTPRC (0.56) MAPTCASP6TDP1CA12CA1
SCHEMBL3276659 0.74 ALDH1A1 (0.59) MEN1KMT2APOLBMAPTCASP6

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 3 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