SCHEMBL287594

SCHEMBL287594

CS(=O)(=O)C(NNC(=O)C1CCC(O)NC1O)C(=O)c1cccs1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPY5R Q15761 3/20 0.34
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
TSHR P16473 2/20 0.33
ELANE P08246 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL287829 0.76 PBK (0.40) MEN1KMT2ASMN1; SMN2HSD17B10USP2
SCHEMBL619898 0.60 CES2 (0.64) MEN1KMT2ASMN1; SMN2MAPTLMNA
Dimethylamine SCHEMBL28473067 0.59 CES2 (0.57) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL1937375 0.57 RAB9A (0.58) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL4670634 0.57 RAB9A (0.40) MEN1KMT2ASMN1; SMN2HSD17B10MAPT
SCHEMBL27878324 0.57 CES2 (0.52) MEN1KMT2ASMN1; SMN2HSD17B10MAPT
SCHEMBL9955480 0.57 CES2 (0.53) MEN1KMT2ASMN1; SMN2LMNAHTT
SCHEMBL23793030 0.56 RAB9A (0.56) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL14490190 0.56 CES2 (0.61) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL29077328 0.56 CES2 (0.61) MEN1KMT2ASMN1; SMN2MAPTLMNA

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