SCHEMBL15740372

SCHEMBL15740372

O=CC(OC1CCC(Oc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1)N1CCN(Cc2nc3cc(C(F)(F)F)ccc3s2)CC1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
AKR1B1 P15121 7/20 0.33
SERPINE1 P05121 1/20 0.32
FFAR1 O14842 1/20 0.32
AR P10275 1/20 0.32
ALOX5AP P20292 1/20 0.31
AKR1B10 O60218 1/20 0.31
AKR1A1 P14550 1/20 0.31
GLO1 Q04760 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
SCHEMBL15750112 0.83 ENPP2 (0.38) MAPK1NPSR1AKR1B1SERPINE1AKR1B10
SCHEMBL15708010 0.83 ENPP2 (0.38) MAPK1NPSR1AKR1B1SERPINE1AKR1B10
SCHEMBL15740404 0.82 TMEM97 (0.36) MAPK1NPSR1AKR1B1
SCHEMBL15740440 0.82 KCNH2 (0.36) MAPK1NPSR1AR
SCHEMBL2125266 0.78 SERPINE1 (0.49) SERPINE1
SCHEMBL15740469 0.77 CYP2C19 (0.34) MAPK1NPSR1
SCHEMBL19767197 0.76 MAPK1 (0.37) MAPK1NPSR1SERPINE1
SCHEMBL19767208 0.76 PRKAA2 (0.38) MAPK1NPSR1SERPINE1
SCHEMBL19767180 0.76 MAPK1 (0.37) MAPK1NPSR1SERPINE1
SCHEMBL15740437 0.75 MAPK1 (0.38) MAPK1NPSR1SERPINE1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922845-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF Merial, Inc. (US) 2015-09-30 EP disclosed
WO-2014081697-A2 ANTHELMINTIC COMPOUNDS AND COMPOSITIONS AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2014-05-30 WO disclosed