SCHEMBL5455317

SCHEMBL5455317

CC(NC(=S)Nc1ccccc1)c1ccccc1

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
HTT P42858 2/20 0.60
GAA P10253 3/20 0.58
HPGD P15428 2/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 4/20 0.57
CYP3A4 P08684 1/20 0.57
TAS2R38 P59533 1/20 0.57
QPCT Q16769 1/20 0.57
CNR1 P21554 2/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
NOX1 Q9Y5S8 1/20 0.53
ALOX12 P18054 1/20 0.53
EPHX2 P34913 1/20 0.51
TDP1 Q9NUW8 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
SCHEMBL6811098 0.89 KMT2A (0.62) HSD17B10HTTGAAHPGDLMNA
SCHEMBL9528398 0.85 QPCT (0.54) HSD17B10HTTGAALMNAALDH1A1
SCHEMBL9528390 0.85 QPCT (0.54) HSD17B10HTTGAALMNAALDH1A1
SCHEMBL10453774 0.85 MEN1 (0.65) HSD17B10HTTHPGDLMNASMN1; SMN2
SCHEMBL6171893 0.85 QPCT (0.51) HSD17B10HTTGAAHPGDLMNA
SCHEMBL31616392 0.85 MTOR (0.71) HTTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL10453776 0.85 MEN1 (0.65) HSD17B10HTTHPGDLMNASMN1; SMN2
SCHEMBL31616398 0.85 MTOR (0.71) HTTGAALMNASMN1; SMN2ALDH1A1
SCHEMBL6811094 0.83 ALDH1A1 (0.57) HSD17B10HTTGAAHPGDLMNA
SCHEMBL5456616 0.82 ALDH1A1 (0.72) HSD17B10HTTGAAHPGDLMNA

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