SCHEMBL5452588

SCHEMBL5452588

N#Cc1cccc(NC(=S)Nc2cccc(C#N)c2)c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.90
ALDH1A1 P00352 3/20 0.90
IDO1 P14902 1/20 0.81
KMT2A Q03164 5/20 0.60
MEN1 O00255 3/20 0.60
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.54
GRM4 Q14833 1/20 0.53
HSD17B10 Q99714 2/20 0.51
PDK1 Q15118 1/20 0.51
PDK2 Q15119 1/20 0.51
PDK3 Q15120 1/20 0.51
PDK4 Q16654 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
CASP7 P55210 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TAS2R8 Q9NYW2 1/20 0.50
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL6816820 0.89 MAPT (0.77) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL1884990 0.85 IDO1 (0.71) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL863167 0.85 MAPT (0.68) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL17079636 0.85 ALDH1A1 (0.71) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL6816815 0.84 ALDH1A1 (0.69) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL6021580 0.83 ALDH1A1 (0.64) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL18695068 0.82 ALDH1A1 (0.71) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL30606801 0.81 MAPT (0.87) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL29580531 0.81 MAPT (0.87) MAPTALDH1A1IDO1KMT2AMEN1
SCHEMBL7593147 0.81 MAPT (0.60) MAPTALDH1A1IDO1KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
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