SCHEMBL10112304

SCHEMBL10112304

CN1CCC[C@H]1[C@@H](C(N)=O)c1ccc(Br)s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
POLB P06746 1/20 0.38
CHRNB4 P30926 4/20 0.37
CHRNA3 P32297 4/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HSD17B2 P37059 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 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
SCHEMBL10112662 0.84 ALDH1A1 (0.38) HPGDCHRNB4CHRNA3ALDH1A1SMN1; SMN2
SCHEMBL10122799 0.70 CHRNB4 (0.39) CHRNB4CHRNA3L3MBTL3
SCHEMBL3644854 0.70 CHRM3 (0.51)
SCHEMBL10112661 0.68 SLC6A2 (0.44)
SCHEMBL30017807 0.67 CHRNB4 (0.41) CHRNB4CHRNA3L3MBTL3
SCHEMBL30017341 0.67 CHRNB4 (0.41) CHRNB4CHRNA3L3MBTL3
SCHEMBL15995654 0.67 CHRNB4 (0.41) CHRNB4CHRNA3L3MBTL3
SCHEMBL2563607 0.66 ALOX5 (0.46) HPGDPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL8487679 0.63 TSHR (0.43) HPGDPOLBALDH1A1LMNATSHR
SCHEMBL31575348 0.62 CHRNB2 (0.43) HPGDCHRNB4CHRNA3SMN1; SMN2

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 3 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-2011130654-A1 FOX03A AS PREDICTIVE BIOMARKER FOR PI3K/AKT KINASE PATHWAY INHIBITOR EFFICACY GENENTECH, INC. (US) 2011-10-20 WO disclosed