SCHEMBL10112672

SCHEMBL10112672

NC(=O)[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCN1CC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NSD2 O96028 1/20 0.35
WDR91 A4D1P6 1/20 0.35

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
SCHEMBL10112681 0.87 GAA (0.38) GAA
SCHEMBL10112664 0.84 GLA (0.39) GAADPP7GLAHSD17B10NSD2
SCHEMBL10112675 0.84 ALDH1A1 (0.42) GAANSD2
SCHEMBL10112665 0.82 KDM2B (0.43) GAAGLAHSD17B10NSD2
SCHEMBL10122798 0.81 WDR91 (0.39) GAAWDR91
SCHEMBL10112656 0.74 GAA (0.41) GAADPP4DPP7GLAHSD17B10
SCHEMBL10112661 0.73 SLC6A2 (0.44)
SCHEMBL10112684 0.71 CNR2 (0.42) GAAGLAHSD17B10NSD2WDR91
SCHEMBL31575359 0.65 CHRNB2 (0.43) GAADPP4DPP7GLAHSD17B10
SCHEMBL31575348 0.65 CHRNB2 (0.43) GAADPP4DPP7GLAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012135749-A2 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS GENENTECH, INC. (US) 2012-10-04 WO disclosed
WO-2012087336-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
WO-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 WO disclosed
WO-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed