SCHEMBL2370359

SCHEMBL2370359

CC(C#N)CCC(=O)O.N#Cc1ccc(C(=S)S)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 1/20 0.39
GSK3B P49841 2/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EPHX2 P34913 1/20 0.36
HTT P42858 1/20 0.35
PKM P14618 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
SCHEMBL161152 0.88 NR4A2 (0.38) CA1CA2ALDH1A1GAA
Thiobenzoic Acid SCHEMBL2370364 0.86 KMT2A (0.39) MEN1KMT2AMMP2GSK3BCA1
Valeric Acid SCHEMBL4154428 0.80 MMP2 (0.42) KMT2AMMP2GSK3BCA1CA2
SCHEMBL29086929 0.78 SLC6A3 (0.43) MEN1KMT2AMMP2GSK3BCA1
Thiobenzoic Acid SCHEMBL161151 0.76 CA12 (0.48) CA1CA2ALDH1A1GAA
Thiobenzoic Acid SCHEMBL2354925 0.76 NR4A2 (0.40) ALDH1A1GAA
Thiobenzoic Acid SCHEMBL28164247 0.76 NR4A2 (0.40) ALDH1A1GAA
SCHEMBL4229223 0.76 NR4A2 (0.37) ALDH1A1KDM4EGAA
SCHEMBL17267372 0.76 MEN1 (0.41) MEN1KMT2AMMP2GSK3BCA1
SCHEMBL29728055 0.75 GABRP (0.43) MAPT

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-2544701-B1 POLYMERIC DRUG DELIVERY CONJUGATES AND METHODS OF MAKING AND USING THEREOF UNIV UTAH RES FOUND (US) 2019-08-14 EP disclosed
US-9289510-B2 Polymeric drug delivery conjugates and methods of making and using thereof UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2016-03-22 US disclosed
EP-2544701-A2 POLYMERIC DRUG DELIVERY CONJUGATES AND METHODS OF MAKING AND USING THEREOF University of Utah Research Foundation (US) 2013-01-16 EP disclosed
WO-2011112482-A2 POLYMERIC DRUG DELIVERY CONJUGATES AND METHODS OF MAKING AND USING THEREOF UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2011-09-15 WO disclosed