SCHEMBL3533242

SCHEMBL3533242

Cc1cc(C)c(C)c(S(=O)(=O)N2CCc3nc(NC(=O)c4cccs4)ncc3C2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
KDR P35968 1/20 0.45
GAA P10253 2/20 0.39
ALDH1A1 P00352 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
TSHR P16473 4/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TTK P33981 1/20 0.38
HPGD P15428 1/20 0.37
MAPK1 P28482 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
SCHEMBL3532065 0.76 MEN1 (0.43) HTTGAAALDH1A1MEN1KMT2A
SCHEMBL3532067 0.75 MEN1 (0.47) HTTKDRGAAALDH1A1MEN1
SCHEMBL3531915 0.73 MAPK1 (0.44) KDRALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL3531061 0.73 PDGFRB (0.43) KDRALDH1A1MEN1KMT2ATSHR
SCHEMBL3534010 0.72 KDM4E (0.43) KDRALDH1A1TSHRLMNAHSD17B10
SCHEMBL3526575 0.71 PPARG (0.52) HTTKDRGAAALDH1A1MEN1
SCHEMBL3529342 0.71 PDGFRB (0.45) HTTKDRALDH1A1TSHRLMNA
SCHEMBL3534370 0.70 HTT (0.57) HTTGAAALDH1A1MEN1KMT2A
SCHEMBL3530137 0.70 CNR2 (0.41) KDRALDH1A1TSHRHSD17B10KDM4E
SCHEMBL3531388 0.69 KDR (0.47) KDRMEN1KMT2AMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662828-B2 Substituted 5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-yl compounds and 5,6,7,8-tetrahydroquinazoline-2-yl compounds GRUENENTHAL GMBH (DE) 2010-02-16 US claimed