SCHEMBL287829

SCHEMBL287829

CS(=O)(=O)C(NNC(=O)C1CCCNC1)C(=O)c1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
NPY5R Q15761 4/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
CACNA2D1 P54289 1/20 0.35
TSHR P16473 2/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
ALOX15 P16050 1/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL287775 0.84 GAA (0.36) PBKSMN1; SMN2NPY5RMEN1KMT2A
SCHEMBL284519 0.84 ALOX15 (0.34) SMN1; SMN2MEN1KMT2ATNKSTNKS2
SCHEMBL4160439 0.72 TSHR (0.46) PBKSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL286983 0.70 ALDH1A1 (0.40) MEN1KMT2ATSHRALDH1A1CYP3A4
SCHEMBL287828 0.69 ALDH1A1 (0.38) PBKSMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL1279112 0.64 RAB9A (0.69) PBKMEN1KMT2AHSD17B10TSHR
SCHEMBL1279114 0.64 RAB9A (0.69) PBKMEN1KMT2AHSD17B10TSHR
SCHEMBL4152061 0.64 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AHSD17B10LMNA
SCHEMBL30803944 0.64 SLC6A1 (0.52) SMN1; SMN2KMT2ATNKSTNKS2LMNA
SCHEMBL20460586 0.62 SLC6A1 (0.53) SMN1; SMN2KMT2ATNKSTNKS2LMNA

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