SCHEMBL7128965

SCHEMBL7128965

Cc1cc([N+](=O)[O-])c(C)cc1C(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.50
CES2 O00748 2/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA1 P30542 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CES1 P23141 1/20 0.45
GAA P10253 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
TTR P02766 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 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
SCHEMBL17009646 0.81 CES2 (0.61) CES2MEN1KMT2AMAPTALDH1A1
SCHEMBL550878 0.76 TSHR (0.57) MEN1KMT2AMAPTALDH1A1CYP3A4
SCHEMBL27384436 0.76 GAA (0.59) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL27908112 0.76 CES2 (0.61) CES2MEN1KMT2AMAPTALDH1A1
Acetonitrile SCHEMBL28068930 0.75 CES2 (0.55) CES2MEN1KMT2AMAPTALDH1A1
SCHEMBL1773728 0.75 CES2 (0.53) SRD5A2CES2MEN1KMT2AMAPT
SCHEMBL374408 0.75 RAB9A (0.65) MEN1KMT2AMAPTGAAMAPK1
SCHEMBL30822365 0.75 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL29227478 0.75 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL30318 0.74 MPO (0.51) SRD5A2CES2MEN1KMT2AMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1170813-C N2 phenylamidine derivatives �ݶ�ũ�����޹�˾ 2004-10-13 CN disclosed
EP-1150944-B1 N2-PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE GMBH (DE) 2003-08-20 EP disclosed
CN-1342137-A N2 phenylamidine derivatives AFINDY AGRICULTURAL SCIENCES G (DE) 2002-03-27 CN disclosed
EP-1150944-A1 N2-PHENYLAMIDINE DERIVATIVES Aventis CropScience GmbH (DE) 2001-11-07 EP disclosed
WO-2000046184-A1 N2-PHENYLAMIDINE DERIVATIVES AVENTIS CROPSCIENCE GMBH (FR) 2000-08-10 WO disclosed