SCHEMBL628630

SCHEMBL628630

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
SLC6A3 Q01959 5/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A2 P23975 1/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
CFTR P13569 1/20 0.41
NR4A2 P43354 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MITF O75030 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL6624770 0.89 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2ALDH1A1MAPT
SCHEMBL6774395 0.87 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2ALDH1A1MAPT
SCHEMBL630123 0.87 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2ALDH1A1MAPT
SCHEMBL6625716 0.87 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2ALDH1A1MAPT
SCHEMBL628950 0.86 SRD5A2 (0.48) SLC6A3SLC6A4SLC6A2ALDH1A1KDM4E
SCHEMBL24579101 0.84 LOXL2 (0.51) LOXL2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL29775255 0.84 LOXL2 (0.51) LOXL2SLC6A3SLC6A4SLC6A2ALDH1A1
SCHEMBL630057 0.84 MEN1 (0.46) SLC6A3SLC6A4SLC6A2ALDH1A1MAPT
SCHEMBL628441 0.84 FFAR1 (0.53) KDM4E
SCHEMBL629251 0.83 KDM4E (0.40) SLC6A3SLC6A4SLC6A2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
EP-0986384-A4 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2004-09-15 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed
EP-0986384-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 2000-03-22 EP disclosed
WO-1998050029-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1998-11-12 WO disclosed