SCHEMBL5242014

SCHEMBL5242014

Cc1ccc(N(CS(=O)(=O)O)C(=O)c2nccnc2C(=O)Nc2ccc(N3CCOC3=N)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.35
RAB9A P51151 8/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
F9 P00740 4/20 0.33
MAPK1 P28482 3/20 0.33
MAPT P10636 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
TLR9 Q9NR96 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 1/20 0.33
GAA P10253 1/20 0.33
KDM4E B2RXH2 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL5231707 0.89 SIRT2 (0.34) NPC1RAB9AMAPK1MAPTNPSR1
SCHEMBL4876034 0.83 NPC1 (0.40) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL5229415 0.81 ALDH1A1 (0.34) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL5236143 0.81 RAB9A (0.43) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL5237059 0.79 MAPT (0.37) NPC1RAB9AKMT2AMAPK1MAPT
SCHEMBL5236615 0.77 F10 (0.37) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL4634074 0.75 GCGR (0.38) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL4885304 0.74 RAB9A (0.39) NPC1RAB9AMEN1KMT2AMAPK1
SCHEMBL4886035 0.74 SCN5A (0.39) NPC1RAB9AMAPK1MAPTNPSR1
SCHEMBL4884191 0.74 F10 (0.45) NPC1RAB9AMEN1KMT2AMAPK1

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-1819701-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF Bayer HealthCare AG (DE) 2007-08-22 EP disclosed
WO-2006058630-A1 CYCLIC IMINOCARBAMATES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2006-06-08 WO disclosed