SCHEMBL17027697

SCHEMBL17027697

CC1=Nc2cc([N+](=O)[O-])ccc2NC(=O)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
PGR P06401 1/20 0.47
TDP2 O95551 1/20 0.46
CAPN9 O14815 1/20 0.46
CASP3 P42574 1/20 0.46
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
PDE4D Q08499 1/20 0.43
GSK3B P49841 7/20 0.42
CCNB2 O95067 6/20 0.42
CDK1 P06493 6/20 0.42
CCNB1 P14635 6/20 0.42
CDK5 Q00535 6/20 0.42
CDK5R1 Q15078 6/20 0.42
CCNB3 Q8WWL7 6/20 0.42

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
SCHEMBL14874962 0.89 MAPT (0.53) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL19954 0.74 PGR (0.71) MEN1KMT2APGRTDP2CAPN9
SCHEMBL7507906 0.72 ALDH1A1 (0.61) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL14255816 0.71 MEN1 (0.49) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL2993057 0.71 TDP2 (0.67) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL2717518 0.71 CYP3A4 (0.50) MAPTMEN1KMT2ATDP2CAPN9
SCHEMBL9503410 0.70 CAPN9 (0.49) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL9388949 0.70 CAPN9 (0.65) MEN1KMT2AALDH1A1PGRTDP2
SCHEMBL2299377 0.70 PGR (0.56) MAPTMEN1KMT2AALDH1A1PGR
SCHEMBL15435591 0.69 LMNA (0.65) MAPTMEN1KMT2AALDH1A1PGR

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-20200093135-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL EMEKATECH LLC (US) 2020-03-26 US disclosed
US-20170055532-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL Emekatech, LLC. (US) 2017-03-02 US disclosed
EP-3110253-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL Emekatech, LLC (US) 2017-01-04 EP disclosed
WO-2015127311-A1 SYSTEMS FOR PEST ELIMINATION, SUPPRESSION OR CONTROL EMEKATECH, LLC (US) 2015-08-27 WO disclosed