SCHEMBL284519

SCHEMBL284519

Cc1ccc(C(=O)C(NNC(=O)C2CCCNC2)S(C)(=O)=O)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
ULK1 O75385 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
DAO P14920 1/20 0.33
CDK9 P50750 6/20 0.32
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
CDK2AP1 O14519 1/20 0.32
CHEK1 O14757 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 0.84 PBK (0.40) ALOX15TNKSTNKS2MEN1ALDH1A1
SCHEMBL286983 0.70 ALDH1A1 (0.40) MEN1ALDH1A1KMT2ATSHRKHK
SCHEMBL284518 0.69 ALDH1A1 (0.34) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL279882 0.66 DAO (0.42) KDM4EMEN1ALDH1A1KMT2ANPC1
SCHEMBL30803944 0.64 SLC6A1 (0.52) ALOX15TNKSTNKS2ULK1KDM4E
SCHEMBL23079137 0.63 DAO (0.52) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL20460586 0.62 SLC6A1 (0.53) ALOX15TNKSTNKS2ULK1KDM4E
SCHEMBL9053796 0.62 ALDH1A1 (0.52) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL2448229 0.61 ULK1 (0.56) ALOX15TNKSTNKS2ULK1KDM4E
SCHEMBL25261070 0.61 HTR6 (0.44) TNKSTNKS2KDM4EKMT2ASLC6A1

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