SCHEMBL5456687

SCHEMBL5456687

Cc1ccc(NC(=S)NC(=O)c2ccccc2C)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.67
MAPT P10636 8/20 0.67
ALOX12 P18054 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
KDM4E B2RXH2 3/20 0.67
GAA P10253 3/20 0.67
POLB P06746 1/20 0.67
KMT2A Q03164 7/20 0.65
MEN1 O00255 4/20 0.65
LMNA P02545 4/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HTT P42858 2/20 0.65
L3MBTL1 Q9Y468 4/20 0.63
TP53 P04637 1/20 0.62
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
EPHX1 P07099 1/20 0.56
PKM P14618 1/20 0.54

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
SCHEMBL13581610 0.85 MAPT (0.71) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL13453792 0.82 ALDH1A1 (0.58) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL5448102 0.81 ALDH1A1 (0.68) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL5451832 0.81 ALDH1A1 (0.80) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL5448122 0.80 NPC1 (0.58) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL5445708 0.80 ALDH1A1 (0.62) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL5447995 0.80 MAPT (0.68) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL9728405 0.79 ALDH1A1 (0.77) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL9818531 0.79 ALDH1A1 (0.77) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E
SCHEMBL5455495 0.78 ALDH1A1 (0.72) ALDH1A1MAPTALOX12SMN1; SMN2KDM4E

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