SCHEMBL8325166

SCHEMBL8325166

Cc1nc(-c2ccc(S(=O)(=O)N3[C@@H](C(=O)O)C[C@H]4CCC[C@H]43)s2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.48
MAPT P10636 6/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
KMT2A Q03164 1/20 0.48
IRS1 P35568 1/20 0.47
GAB1 Q13480 1/20 0.47
POLB P06746 2/20 0.42
CCKBR P32239 1/20 0.42
PKM P14618 1/20 0.39
PFKFB3 Q16875 1/20 0.39
PFKFB4 Q16877 1/20 0.39
ALDH1A1 P00352 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 3/20 0.38

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
SCHEMBL13480182 1.00 KDM4E (0.48) KDM4EMAPTMEN1NPC1KMT2A
SCHEMBL13201316 0.90 KDM4E (0.45) KDM4EMAPTMEN1NPC1KMT2A
SCHEMBL13201305 0.77 MMP8 (0.60) MAPTNPC1KMT2APOLBALDH1A1
SCHEMBL8325154 0.74 ALDH1A1 (0.42) NPC1POLBALDH1A1NPSR1L3MBTL1
SCHEMBL8321476 0.73 F10 (0.39) KDM4EMAPTKMT2APOLBALDH1A1
SCHEMBL13201304 0.73 POLB (0.54) KDM4EMEN1NPC1KMT2APOLB
SCHEMBL2953994 0.70 ACHE (0.54) KDM4EMEN1NPC1KMT2APOLB
SCHEMBL14057261 0.69 KDM4E (0.44) KDM4EMAPTMEN1NPC1KMT2A
SCHEMBL8320723 0.68 PSEN1 (0.43) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL2964063 0.68 PSEN1 (0.43) MEN1KMT2APOLBALDH1A1L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed