SCHEMBL287097

SCHEMBL287097

COc1ccc(C(=O)CN(NS(C)(=O)=O)C(=O)C2CCCNC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.38
MMP9 P14780 3/20 0.38
MMP13 P45452 3/20 0.38
REN P00797 1/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
CDK9 P50750 1/20 0.36
ALOX15 P16050 1/20 0.36
POLB P06746 1/20 0.35
HSD11B1 P28845 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35
MAPT P10636 1/20 0.35
MMP3 P08254 1/20 0.35
MMP7 P09237 1/20 0.35

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
SCHEMBL287259 0.87 KMT2A (0.40) MMP1MMP9MMP13ALDH1A1MAPT
SCHEMBL284518 0.78 ALDH1A1 (0.34) RENALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL287828 0.78 ALDH1A1 (0.38) RENALDH1A1SMN1; SMN2POLB
SCHEMBL286982 0.74 KMT2A (0.41) RENALDH1A1POLBMAPT
SCHEMBL287108 0.74 RAB9A (0.39) ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL11798075 0.73 NPC1 (0.59) ALDH1A1SMN1; SMN2POLBHSD11B1
SCHEMBL4960293 0.68 TRPM8 (0.50) RENALDH1A1CDK9CAMK2A
SCHEMBL2446469 0.67 ALOX15 (0.59) ALOX15POLB
SCHEMBL288036 0.67 POLB (0.39) MMP1ALDH1A1ALOX15POLBHSD11B1
SCHEMBL2447403 0.67 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2POLBMAPT

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