SCHEMBL2465259

SCHEMBL2465259

CCC(F)c1c(Cl)ccc(-c2cc(NC(C)=O)c(Cl)c(OC(=O)OC)n2)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
RORC P51449 1/20 0.33
PGK1 P00558 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADORA3 P0DMS8 3/20 0.32
KDM4E B2RXH2 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
RIPK1 Q13546 4/20 0.32
NUDT1 P36639 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL17797211 0.93 RIPK1 (0.34) ALDH1A1RORCPGK1MEN1KMT2A
SCHEMBL3333268 0.88 ALDH1A1 (0.38) ALDH1A1RORCPGK1MEN1KMT2A
SCHEMBL2464694 0.87 MAPK9 (0.32) KDM4E
SCHEMBL3840085 0.85 KDM4E (0.36) ALDH1A1RORCPGK1MEN1KMT2A
SCHEMBL17797223 0.85 RORC (0.40) ALDH1A1RORCPGK1MEN1KMT2A
SCHEMBL2470012 0.84 ALDH1A1 (0.38) ALDH1A1RORCMEN1KMT2AADORA3
SCHEMBL2465978 0.84 ALDH1A1 (0.38) ALDH1A1ADORA3ABL1RIPK1NUDT1
SCHEMBL2468304 0.84 ALDH1A1 (0.38) ALDH1A1RORCMEN1KMT2AADORA3
SCHEMBL2468120 0.83 ALDH1A1 (0.36) ALDH1A1RORCMEN1KMT2AADORA3
SCHEMBL17797215 0.83 RIPK1 (0.37) ALDH1A1RORCMEN1KMT2AKDM4E

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
EP-2939541-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2369929-A2 HERBICIDE-SAFENER COMBINATION Bayer CropScience AG (DE) 2011-10-05 EP disclosed
WO-2010060581-A2 HERBICIDE-SAFENER COMBINATION BAYER CROPSCIENCE AG (DE) 2010-06-03 WO disclosed
EP-2191719-A1 Herbicide safener combination Bayer CropScience AG (DE) 2010-06-02 EP disclosed