SCHEMBL2465833

SCHEMBL2465833

Nc1cc(-c2ccc(CF)cc2)nc(OC(=O)O)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.35
MAPK9 P45984 2/20 0.35
MAPK10 P53779 2/20 0.35
MAPK1 P28482 2/20 0.35
PRKD3 O94806 1/20 0.35
PRKD2 Q9BZL6 1/20 0.35
CTRC Q99895 3/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 3/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
ATM Q13315 2/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 2/20 0.33
XDH P47989 1/20 0.33
TPH1 P17752 1/20 0.32

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
SCHEMBL2466898 0.88 ATR (0.38) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL2469966 0.87 SMN1; SMN2 (0.42) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL2466883 0.85 DHODH (0.44) ACHEKDM4EDHODHMAPT
SCHEMBL2468160 0.85 CTRC (0.46) CTRCMEN1KMT2AHPGDACHE
SCHEMBL2470000 0.84 ACHE (0.45) CTRCMEN1KMT2AHPGDACHE
SCHEMBL2466248 0.83 MAPT (0.44) CTRCMEN1KMT2AHPGDPOLB
SCHEMBL3453611 0.82 CASP1 (0.45) HPGDPOLBACHEALDH1A1HSD17B10
SCHEMBL2465830 0.82 CTRC (0.39) CTRCMEN1KMT2AHPGDPOLB
SCHEMBL2465141 0.82 KMO (0.48) MEN1KMT2APOLBRAB9AKDM4E
SCHEMBL2466332 0.81 MAPT (0.44) MAPK1MEN1KMT2AALDH1A1DHODH

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