SCHEMBL5454021

SCHEMBL5454021

S=C(Nc1ccccc1)Nc1cc(Cl)ccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
NPC1 O15118 1/20 0.77
HTT P42858 1/20 0.77
RAB9A P51151 1/20 0.77
MAPT P10636 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
NPSR1 Q6W5P4 1/20 0.65
IDO1 P14902 1/20 0.63
EPHX1 P07099 2/20 0.62
NOX1 Q9Y5S8 1/20 0.57
CYP3A4 P08684 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
ALOX12 P18054 1/20 0.56
PPARG P37231 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56

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
SCHEMBL21858367 0.87 ALDH1A1 (1.00) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL31206339 0.87 ALDH1A1 (1.00) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL4342059 0.85 ALDH1A1 (0.69) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL15840648 0.84 ALDH1A1 (0.62) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL6815468 0.84 IDO1 (0.64) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL5446693 0.82 MAPK1 (0.75) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL6816786 0.81 EPHX1 (0.71) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL4346849 0.81 ALDH1A1 (0.68) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL5450034 0.80 GAA (0.76) ALDH1A1NPC1HTTRAB9AMAPT
SCHEMBL8956349 0.80 NOX1 (0.85) ALDH1A1NPC1HTTRAB9AMAPT

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