SCHEMBL28915652

SCHEMBL28915652

Nc1ccc(-c2cccs2)c2cccnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 1/20 0.56
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
APAF1 O14727 1/20 0.49
TDP2 O95551 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
TOP2A P11388 1/20 0.43
HSP90AA1 P07900 3/20 0.42
HSP90AB1 P08238 3/20 0.42
IDO1 P14902 1/20 0.42
PSMB5 P28074 1/20 0.42
KDM4E B2RXH2 2/20 0.41
TDO2 P48775 1/20 0.41
KCNH2 Q12809 1/20 0.40
HCRTR1 O43613 1/20 0.39

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
SCHEMBL3358739 0.76 TOP2A (0.59) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL2237236 0.74 GLO1 (0.47) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL28317569 0.73 MEN1 (0.54) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL7455899 0.73 HSP90AA1 (0.70) MEN1KMT2AALDH1A1MAPTAPAF1
SCHEMBL29661959 0.73 HSP90AA1 (0.70) MEN1KMT2AALDH1A1MAPTAPAF1
SCHEMBL9927346 0.73 LTA4H (0.47) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL29945128 0.73 LTA4H (0.47) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL27401952 0.73 NPC1 (0.47) GLO1ALDH1A1MAPTKDM4ETDO2
SCHEMBL498344 0.73 GLO1 (0.47) GLO1MEN1KMT2AALDH1A1MAPT
SCHEMBL14981148 0.71 LTA4H (0.46) GLO1MEN1KMT2AALDH1A1MAPT

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-110105337-B Quinoline triarylamine and preparation method thereof 湖南大学 2022-12-23 CN disclosed