SCHEMBL628801

SCHEMBL628801

COC(=O)c1ccc(CN(C)CCC2=CCCCC2)cc1-c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 6/20 0.41
ALDH1A1 P00352 9/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPT P10636 4/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL628444 0.89 NPSR1 (0.40) L3MBTL1HPGDALDH1A1NPSR1MAPT
SCHEMBL630026 0.82 FNTA (0.54) ALDH1A1
SCHEMBL628800 0.77 FNTA (0.37) LMNAMEN1KMT2ASMN1; SMN2ATM
SCHEMBL628935 0.76 SMN1; SMN2 (0.46) SMN1; SMN2
SCHEMBL629790 0.76 FNTA (0.40) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL630123 0.73 SLC6A3 (0.43) HPGDALDH1A1NPSR1MAPTLMNA
SCHEMBL628441 0.73 FFAR1 (0.53)
SCHEMBL628630 0.72 LOXL2 (0.50) HPGDALDH1A1NPSR1MAPTLMNA
SCHEMBL6624770 0.72 SLC6A3 (0.46) HPGDALDH1A1NPSR1MAPTLMNA
SCHEMBL6625716 0.71 SLC6A3 (0.43) HPGDALDH1A1NPSR1MAPTLMNA

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