SCHEMBL7915060

SCHEMBL7915060

COC(=O)c1ccc(N)cc1-c1ccccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 2/20 0.47
CFTR P13569 2/20 0.47
SLC6A3 Q01959 4/20 0.46
SLC6A4 P31645 3/20 0.46
SLC6A2 P23975 1/20 0.46
ABCB1 P08183 1/20 0.45
MAPT P10636 4/20 0.44
ATM Q13315 2/20 0.44
HPGD P15428 2/20 0.44
PLA2G7 Q13093 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
USP2 O75604 1/20 0.43
PAX8 Q06710 1/20 0.43
GOPC Q9HD26 1/20 0.43
ABL1 P00519 1/20 0.43

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
SCHEMBL2267132 0.84 SLC6A3 (0.51) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL14812308 0.84 GAA (0.54) GAAALDH1A1HSD17B10CFTRSLC6A3
SCHEMBL22256464 0.83 MAPT (0.47) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL7570354 0.83 KDM4E (0.53) GAAALDH1A1HSD17B10SLC6A3SLC6A4
SCHEMBL628630 0.82 LOXL2 (0.50) GAAALDH1A1HSD17B10CFTRSLC6A3
SCHEMBL9549 0.82 SLC6A3 (0.57) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL628811 0.82 SLC6A3 (0.46) ALDH1A1HSD17B10CFTRSLC6A3SLC6A4
SCHEMBL6775709 0.82 ALDH1A1 (0.51) GAAALDH1A1HSD17B10CFTRSLC6A3
SCHEMBL29775249 0.81 GAA (0.58) GAAALDH1A1HSD17B10CFTRSLC6A3
SCHEMBL630047 0.81 GAA (0.58) GAAALDH1A1HSD17B10CFTRSLC6A3

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
US-6221865-B1 INHIBITORS OF PROTEIN FARNESYLTRANSFERASE AND PROTEIN GERANYLGERANYLTRANSFERASE. UNIVERSITY OF PITTSBURGH 2001-04-24 US disclosed
WO-1998050030-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed