SCHEMBL286788

SCHEMBL286788

CC(C)(C)c1ccc(S(=O)(=O)NN(CC(=O)c2cccs2)C(=O)C2=CN=CCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.35
ALDH1A1 P00352 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 4/20 0.35
TP53 P04637 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 2/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.33
PKM P14618 1/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL288004 0.88 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL287518 0.84 ALDH1A1 (0.35) MAPTALDH1A1SMN1; SMN2HTTNPSR1
SCHEMBL287274 0.83 ALDH1A1 (0.33) MAPTALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL287307 0.80 ALDH1A1 (0.39) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL287408 0.77 RAB9A (0.43) MAPTALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL287419 0.73 NPC1 (0.41) MAPTALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL287774 0.72 USP30 (0.36) MAPTALDH1A1SMN1; SMN2HTTMCOLN3
SCHEMBL287767 0.72 HPGD (0.42) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL287139 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2HTTNPSR1TSHR
SCHEMBL287825 0.70 ALDH1A1 (0.34) MAPTALDH1A1SMN1; SMN2TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed