SCHEMBL5452736

SCHEMBL5452736

Cc1ccc(NC(=S)NC(=O)c2ccoc2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
GAA P10253 3/20 0.62
MAPT P10636 3/20 0.62
ALOX12 P18054 3/20 0.62
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
EPHX1 P07099 2/20 0.50
P2RX4 Q99571 1/20 0.47
KCNH2 Q12809 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
AGTR1 P30556 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL5451832 0.84 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL2344119 0.78 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL5448199 0.78 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL29661164 0.78 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL5448122 0.77 NPC1 (0.58) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL5456687 0.75 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL31388347 0.73 KMT2A (0.71) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL15777953 0.70 AKT1 (0.62) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL11514088 0.70 NOX1 (0.63) ALDH1A1SMN1; SMN2GAAMAPTALOX12
SCHEMBL5453192 0.70 EPHX1 (0.65) ALDH1A1SMN1; SMN2MAPTALOX12NPC1

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