SCHEMBL286956

SCHEMBL286956

O=C(CN(NS(=O)(=O)Cc1ccccc1)C(=O)C1=CN=CCC1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 1/20 0.35
MMP13 P45452 1/20 0.35
LIMK2 P53671 4/20 0.34
LIMK1 P53667 2/20 0.34
TP53 P04637 1/20 0.34
ABL1 P00519 1/20 0.34
LCK P06239 1/20 0.34
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 1/20 0.33
ADRB2 P07550 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
SCHEMBL287518 0.71 ALDH1A1 (0.35) HPGDKMT2AALDH1A1MEN1LMNA
SCHEMBL287640 0.69 ALDH1A1 (0.31) HPGDTP53KMT2AALDH1A1MEN1
SCHEMBL9717051 0.67 MMP13 (0.47) HPGDMMP13TP53KMT2AALDH1A1
SCHEMBL5320468 0.63 MMP1 (0.56) HPGDALOX15HSD17B10CA1CA2
SCHEMBL11611710 0.62 HSP90AA1 (0.47) HPGDALOX15HSD17B10KMT2AALDH1A1
SCHEMBL13545205 0.59 HPGD (0.74) HPGDALOX15HSD17B10CA1CA2
SCHEMBL15974169 0.59 KDM4E (0.56) HPGDALOX15KMT2AALDH1A1MEN1
SCHEMBL11607270 0.59 RORC (0.50) CA1CA2LIMK1KMT2AALDH1A1
SCHEMBL9132638 0.58 HPGD (0.59) HPGDALOX15HSD17B10LIMK2LIMK1
SCHEMBL13889650 0.58 KMT2A (0.55) TP53KMT2AALDH1A1MEN1KDM4E

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