SCHEMBL5445846

SCHEMBL5445846

CC(C)(C)c1ccc(NC(=S)NC(=O)c2cccs2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.71
RAB9A P51151 6/20 0.71
ALDH1A1 P00352 12/20 0.70
MAPT P10636 10/20 0.70
SMN1; SMN2 Q16637 4/20 0.67
HTT P42858 4/20 0.67
MCOLN3 Q8TDD5 1/20 0.67
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
LMNA P02545 6/20 0.66
GAA P10253 4/20 0.66
POLB P06746 2/20 0.66
TDP1 Q9NUW8 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
NPSR1 Q6W5P4 2/20 0.66
MAPK1 P28482 1/20 0.66
KCNH2 Q12809 1/20 0.66
PTBP1 P26599 1/20 0.66
PKM P14618 1/20 0.61
BLM P54132 1/20 0.61

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
SCHEMBL6849612 0.95 MAPT (0.76) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL21588758 0.89 ALDH1A1 (0.57) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL13167587 0.86 RAB9A (0.75) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL28600551 0.85 MAPT (0.80) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6848441 0.85 NPC1 (0.76) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL4629429 0.84 RAB9A (0.55) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL12067341 0.80 SIRT1 (0.71) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL12316859 0.78 RAB9A (0.78) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL28662121 0.77 SIRT1 (0.68) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL2349003 0.76 EPHX1 (0.73) NPC1RAB9AALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 US disclosed