SCHEMBL5445679

SCHEMBL5445679

Cc1ccccc1C(=O)NC(=S)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
MAPT P10636 5/20 0.62
ALOX12 P18054 4/20 0.62
NPSR1 Q6W5P4 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.61
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
KDM4E B2RXH2 2/20 0.58
POLB P06746 1/20 0.58
SIRT2 Q8IXJ6 2/20 0.58
TP53 P04637 1/20 0.57
THRB P10828 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HPGD P15428 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
SCHEMBL11135787 0.86 SMN1; SMN2 (0.60) ALDH1A1MAPTNPSR1SMN1; SMN2HTT
SCHEMBL5448102 0.86 ALDH1A1 (0.68) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
SCHEMBL21652185 0.86 SMN1; SMN2 (0.74) ALDH1A1MAPTNPSR1SMN1; SMN2HTT
SCHEMBL5455495 0.86 ALDH1A1 (0.72) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3717639 0.82 ALDH1A1 (0.64) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
SCHEMBL15257990 0.82 SMN1; SMN2 (0.82) ALDH1A1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL21588735 0.81 ALDH1A1 (0.65) ALDH1A1NPSR1SMN1; SMN2HTTKMT2A
SCHEMBL12067341 0.81 SIRT1 (0.71) ALDH1A1MAPTNPSR1SMN1; SMN2SIRT2
SCHEMBL2349003 0.80 EPHX1 (0.73) ALDH1A1MAPTALOX12NPSR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3717635 0.80 ALDH1A1 (0.62) ALDH1A1MAPTALOX12NPSR1SMN1; 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