SCHEMBL10112664

SCHEMBL10112664

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
CNR1 P21554 1/20 0.37
NSD2 O96028 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNA1C Q13936 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
GPX4 P36969 1/20 0.36
GMNN O75496 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
THPO P40225 1/20 0.36
MTOR P42345 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL10112675 0.85 ALDH1A1 (0.42) GAANSD2
SCHEMBL10112672 0.84 GAA (0.38) GLAHSD17B10GAANSD2DPP7
SCHEMBL10112665 0.84 KDM2B (0.43) GLAHSD17B10GAACNR1NSD2
SCHEMBL10122798 0.81 WDR91 (0.39) GAA
SCHEMBL10112681 0.81 GAA (0.38) GAA
SCHEMBL10112661 0.76 SLC6A2 (0.44)
SCHEMBL10112656 0.75 GAA (0.41) GLAHSD17B10GAANSD2DPP7
SCHEMBL10112684 0.72 CNR2 (0.42) GLAHSD17B10GAACNR1NSD2
SCHEMBL31575359 0.68 CHRNB2 (0.43) GLAHSD17B10GAADPP7
SCHEMBL31575348 0.68 CHRNB2 (0.43) GLAHSD17B10GAADPP7

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-2012088254-A1 AUTOPHAGY INDUCER AND INHIBITOR COMBINATION THERAPY FOR THE TREATMENT OF NEOPLASMS GENENTECH, INC. (US) 2012-06-28 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-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed