SCHEMBL4797604

SCHEMBL4797604

O=C1/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1CCS(=O)(=O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
POLB P06746 2/20 0.68
TDP1 Q9NUW8 3/20 0.60
CTDSP1 Q9GZU7 3/20 0.60
CCR6 P51684 2/20 0.60
DUSP3 P51452 2/20 0.60
CACNA1B Q00975 2/20 0.60
APBA1 Q02410 2/20 0.60
USP2 O75604 1/20 0.60
PKM P14618 1/20 0.60
MCL1 Q07820 1/20 0.60
ALDH1A1 P00352 2/20 0.53
ALDH2 P05091 1/20 0.53
ALDH3A1 P30838 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL4797610 1.00 MEN1 (0.68) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL14252589 1.00 MEN1 (0.68) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL12934213 0.89 MEN1 (0.68) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL2084941 0.88 MEN1 (0.85) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL2084943 0.88 MEN1 (0.85) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL13586997 0.85 KAT2B (0.65) MEN1KMT2APOLBCTDSP1DUSP3
SCHEMBL4551870 0.84 PIM1 (0.63) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL4551871 0.84 PIM1 (0.63) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL4551869 0.84 PIM1 (0.63) MEN1KMT2APOLBTDP1CTDSP1
SCHEMBL12934212 0.77 MEN1 (0.53) MEN1KMT2APOLBCTDSP1DUSP3

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-20050142629-A1 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen NATIONAL INSTITUTES OF HEALTH 2005-06-30 US claimed
US-7344850-B2 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen PRINCETON UNIVERSITY (US) 2008-03-18 US disclosed
US-20050142629-A1 Identification of active-site inhibitors of glycosyltransferases using a generalizable high-throughput screen NATIONAL INSTITUTES OF HEALTH 2005-06-30 US disclosed