SCHEMBL28073614

SCHEMBL28073614

CNC(=O)n1cnc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 6/20 0.61
SMN1; SMN2 Q16637 3/20 0.55
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 2/20 0.50
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
STAT6 P42226 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
HSD17B10 Q99714 1/20 0.50
DNMT3A Q9Y6K1 1/20 0.48
FGFR1 P11362 1/20 0.46
KDM4E B2RXH2 1/20 0.45
APAF1 O14727 1/20 0.44

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
SCHEMBL11793357 0.83 ASAH1 (0.61) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL10355911 0.82 ASAH1 (0.57) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL3078847 0.80 SMN1; SMN2 (0.59) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4437431 0.80 ASAH1 (0.62) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL11443588 0.80 KMT2A (0.60) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL250172 0.80 HTT (0.66) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL9791225 0.79 KMT2A (0.60) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL29195649 0.79 ASAH1 (0.62) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL4619935 0.79 ASAH1 (0.64) ASAH1SMN1; SMN2KMT2AMEN1NPC1
SCHEMBL30846011 0.79 ASAH1 (0.62) ASAH1SMN1; SMN2KMT2AMEN1NPC1

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-103781850-B Zirconium-containing complex and condensation reaction catalyst, method for preparing the catalyst and composition comprising the catalyst 道康宁公司 2016-10-26 CN disclosed
CN-103781823-B Containing titanium complex and condensation catalyst, prepare the method for this catalyst and comprise the compositions of this catalyst 道康宁公司 2016-08-17 CN disclosed