SCHEMBL6645475

SCHEMBL6645475

Cc1ccc(S(=O)(=O)n2cnc3cc(C(=O)O)ccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.61
ALDH3A1 P30838 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
POLB P06746 1/20 0.61
NOD1 Q9Y239 1/20 0.61
HPGD P15428 2/20 0.54
HCAR3 P49019 1/20 0.51
LMNA P02545 5/20 0.51
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
TSHR P16473 2/20 0.49
FGFR1 P11362 1/20 0.48
MAPK1 P28482 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6170599 0.90 HTT (0.61) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL19848205 0.80 HTT (0.69) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL15999986 0.78 PPARG (0.71) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL11607293 0.78 HTT (0.70) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL6169770 0.77 SMN1; SMN2 (0.74) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL8329551 0.76 ALDH3A1 (1.00) HTTALDH3A1L3MBTL1POLBNOD1
SCHEMBL1780727 0.76 RAPGEF4 (0.74) HTTL3MBTL1POLBHPGDLMNA
SCHEMBL1553465 0.75 PDE4A (0.62) L3MBTL1ALDH1A1SMN1; SMN2RAPGEF4
Hydrochloric Acid SCHEMBL8601366 0.74 PDE4A (0.61) L3MBTL1ALDH1A1SMN1; SMN2RAPGEF4
SCHEMBL8652798 0.74 CPT1A (0.63) HTTHPGDLMNAALDH1A1KMT2A

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
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