SCHEMBL5456937

SCHEMBL5456937

S=C(Nc1ccc(Cl)cc1)Nc1ccccn1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.72
KMT2A Q03164 3/20 0.72
MEN1 O00255 2/20 0.72
ALDH1A1 P00352 2/20 0.72
GAA P10253 1/20 0.72
RAB9A P51151 9/20 0.68
NPC1 O15118 6/20 0.68
NPSR1 Q6W5P4 5/20 0.67
MIF P14174 1/20 0.63
THRB P10828 1/20 0.62
ALOX12 P18054 2/20 0.61
LMNA P02545 2/20 0.58
PKM P14618 1/20 0.58
HTT P42858 1/20 0.56
NOX1 Q9Y5S8 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
SCHEMBL2634977 0.86 SMN1; SMN2 (0.87) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL11314623 0.86 NOX1 (0.59) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL2682040 0.84 RAB9A (0.71) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL6816405 0.84 SMN1; SMN2 (0.72) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL8341613 0.84 KMT2A (0.72) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL11173864 0.84 RAB9A (0.75) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL5457318 0.80 RAB9A (1.00) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL6816396 0.79 RAB9A (0.71) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL5081276 0.79 NOX1 (0.85) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL8956349 0.79 NOX1 (0.85) SMN1; SMN2KMT2AMEN1ALDH1A1GAA

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