SCHEMBL28511692

SCHEMBL28511692

CCOc1ccsc1CC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
KEAP1 Q14145 1/20 0.44
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
MAPT P10636 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NQO1 P15559 1/20 0.37
MAPK1 P28482 4/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 4/20 0.35
POLB P06746 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL20887789 0.83 KEAP1 (0.41) KMT2AKEAP1ALDH1A1L3MBTL1MAPT
SCHEMBL23615906 0.83 KMT2A (0.46) KMT2AKEAP1ALDH1A1L3MBTL1MAPT
SCHEMBL10693192 0.80 KMT2A (0.47) KMT2AKEAP1ALDH1A1L3MBTL1MAPT
SCHEMBL12300212 0.80
Hydrochloric Acid SCHEMBL23498163 0.79 KEAP1 (0.46) KMT2AKEAP1ALDH1A1L3MBTL1MAPT
SCHEMBL23498171 0.79 KMT2A (0.42) KMT2AKEAP1ALDH1A1L3MBTL1MAPT
SCHEMBL14264107 0.77 RIPK1 (0.41) KMT2AKEAP1TDP1
SCHEMBL20505057 0.77 KMT2A (0.53) KMT2AKEAP1ALDH1A1L3MBTL1MAPT
SCHEMBL3946663 0.77 L3MBTL1 (0.50) KMT2AALDH1A1L3MBTL1ALOX15KDM4E
SCHEMBL23653737 0.76 KMT2A (0.44) KMT2AKEAP1ALDH1A1L3MBTL1MAPT

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
CN-109112586-B Novel efficient semiconductor copper plating additive and preparation method thereof 江苏赛夫特半导体材料检测技术有限公司 2020-12-11 CN claimed