SCHEMBL8614569

SCHEMBL8614569

CCc1ccc(C)c(S(=O)(=O)Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EDNRB P24530 4/20 0.38
EDNRA P25101 4/20 0.38
CA2 P00918 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
ESR2 Q92731 1/20 0.38
TRPA1 O75762 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
ALOX5 P09917 1/20 0.36

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
SCHEMBL1930830 0.82 EDNRB (0.46) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL299708 0.81 GSTO1 (0.45) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL29651879 0.81 GSTO1 (0.45) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL7904621 0.81 CA2 (0.52) IDH1MAPTALDH1A1EDNRBEDNRA
SCHEMBL1309212 0.81 POLB (0.55) IDH1MAPTNPC1ALDH1A1LMNA
SCHEMBL29469901 0.81 CA2 (0.52) IDH1MAPTALDH1A1EDNRBEDNRA
SCHEMBL11541207 0.78 ALDH1A1 (0.40) MAPTNPC1ALDH1A1LMNAMAPK1
SCHEMBL741235 0.77 ALPL (0.51) SMN1; SMN2L3MBTL1CA2TP53PTGS2
SCHEMBL19014702 0.77 PDE2A (0.36) IDH1MAPTNPC1ALDH1A1LMNA
SCHEMBL2922477 0.76 LMNA (0.38) MAPTNPC1ALDH1A1LMNAMAPK1

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-0579770-B1 MACROCYCLIC LACTAM PROKINETIC AGENTS ABBOTT LAB (US) 1996-06-26 EP claimed
EP-0659746-B1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1998-05-06 EP disclosed
US-5550244-A Process for preparing sulphonylaminocarbonyltriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1996-08-27 US disclosed
EP-0659746-A1 Process for the preparation of sulfonylaminocarbonyl-triazolinones BAYER AG (DE) 1995-06-28 EP disclosed