SCHEMBL5456563

SCHEMBL5456563

CCOc1ccc(NC(=S)Nc2ccccn2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.75
NPC1 O15118 5/20 0.75
KMT2A Q03164 4/20 0.75
NPSR1 Q6W5P4 3/20 0.75
MAPT P10636 3/20 0.69
HTT P42858 1/20 0.67
ALDH1A1 P00352 4/20 0.64
KDM4E B2RXH2 2/20 0.64
GAA P10253 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MEN1 O00255 2/20 0.63
LMNA P02545 3/20 0.63
MPI P34949 1/20 0.63
PKM P14618 2/20 0.62
ALOX12 P18054 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.60
MITF O75030 1/20 0.59

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
SCHEMBL5457318 0.86 RAB9A (1.00) RAB9ANPC1KMT2ANPSR1MAPT
SCHEMBL12443334 0.84 MAPT (0.86) KMT2ANPSR1MAPTALDH1A1KDM4E
Etocarlide SCHEMBL9067989 0.83 MAPT (0.93) KMT2ANPSR1MAPTHTTALDH1A1
Etocarlide SCHEMBL23883157 0.83 MAPT (0.93) KMT2ANPSR1MAPTHTTALDH1A1
Etocarlide SCHEMBL17421969 0.83 MAPT (0.93) KMT2ANPSR1MAPTHTTALDH1A1
Etocarlide SCHEMBL103618 0.83 MAPT (1.00) KMT2ANPSR1MAPTHTTALDH1A1
Etocarlide SCHEMBL9263 0.83 MAPT (1.00) KMT2ANPSR1MAPTHTTALDH1A1
Etocarlide SCHEMBL20658914 0.82 MAPT (0.96) KMT2ANPSR1MAPTHTTALDH1A1
Etocarlide SCHEMBL27935 0.82 MAPT (0.96) KMT2ANPSR1MAPTHTTALDH1A1
Etocarlide SCHEMBL20994029 0.82 MAPT (0.96) KMT2ANPSR1MAPTHTTALDH1A1

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