SCHEMBL2464645

SCHEMBL2464645

Nc1c(F)c(OC(=O)O)nc(-c2ccccc2Cl)c1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 3/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
IKBKB O14920 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DPP4 P27487 1/20 0.35
KMO O15229 1/20 0.35
NR4A2 P43354 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
PRKDC P78527 1/20 0.34
ATR Q13535 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL2465710 0.85 CNR1 (0.43) CNR1DPP4
SCHEMBL2469186 0.83 CDC7 (0.40) KMT2ACNR1TP53DPP4KDM4E
SCHEMBL2464643 0.80 KMT2A (0.44) KMT2ACNR1IKBKBHSD17B10DPP4
SCHEMBL2464682 0.80 GRM2 (0.42) CNR1KMO
SCHEMBL2469859 0.76 CNR1 (0.43) CNR1DPP4
SCHEMBL2465156 0.74 MAPT (0.38) KMT2ACNR1MAPTIKBKBKDM4E
SCHEMBL2467800 0.72 PLAU (0.42) IKBKBDPP4
SCHEMBL2471058 0.72 ALDH1A1 (0.37) HSD17B10KMOKDM4EALDH1A1
SCHEMBL2466316 0.71 GRM2 (0.41) KMT2ACNR1KMO
SCHEMBL9938760 0.71 CNR1 (0.34) KMT2ACNR1HSD17B10KMOALDH1A1

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-2939540-A1 HERBICIDE SAFENER COMBINATION Bayer Intellectual Property GmbH (DE) 2015-11-04 EP disclosed
EP-2939541-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