SCHEMBL42642

SCHEMBL42642

CN(C)c1ccccc1/N=N/c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.62
CA12 O43570 7/20 0.62
CA9 Q16790 7/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
POLB P06746 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
LMNA P02545 1/20 0.55
CYP1A2 P05177 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP2C9 P11712 1/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
CYP2C19 P33261 1/20 0.54
HSD17B10 Q99714 1/20 0.54
MAPT P10636 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
MAPK1 P28482 1/20 0.52
PTGS2 P35354 4/20 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
SCHEMBL16322731 0.85 MEN1 (0.71) CA2CA12CA9MEN1KMT2A
SCHEMBL6677569 0.85 POLB (0.60) CA2CA12CA9MEN1KMT2A
SCHEMBL6810312 0.85 MEN1 (0.52) CA2CA12CA9MEN1KMT2A
SCHEMBL4436535 0.85 MEN1 (0.52) CA2CA12CA9MEN1KMT2A
SCHEMBL9788043 0.84 POLB (0.58) CA2CA12CA9MEN1KMT2A
SCHEMBL14467528 0.83 MEN1 (0.76) CA2CA12CA9MEN1KMT2A
SCHEMBL29747008 0.80 MAPK1 (0.53) CA2CA12CA9MEN1KMT2A
SCHEMBL28584350 0.80 CA2 (0.54) CA2CA12CA9MEN1KMT2A
SCHEMBL8619132 0.80 MEN1 (0.46) CA2CA12CA9MEN1KMT2A
SCHEMBL187588 0.78 TDP1 (0.55) MEN1KMT2APOLBNPC1RAB9A

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-2831587-A1 SIGNALING CONJUGATES AND METHODS OF USE Ventana Medical Systems, Inc. (US) 2015-02-04 EP disclosed
WO-2013148498-A1 SIGNALING CONJUGATES AND METHODS OF USE VENTANA MEDICAL SYSTEMS, INC. (US) 2013-10-03 WO disclosed
EP-2588443-A2 HAPTEN CONJUGATES FOR TARGET DETECTION Ventana Medical Systems, Inc. (US) 2013-05-08 EP disclosed
WO-2012003476-A2 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. (US) 2012-01-05 WO disclosed