SCHEMBL28670407

SCHEMBL28670407

C=C(O)COc1cccc2c(=O)c3ccccc3sc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.41
PTPN2 P17706 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
HCRTR1 O43613 1/20 0.41
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 2/20 0.39
BCL2 P10415 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
BAD Q92934 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL8411604 0.88 PTPN1 (0.54) PTPN1PTPN2MAPTALDH1A1L3MBTL1
SCHEMBL20469835 0.81 PTPN2 (0.41) PTPN1PTPN2MAPTALDH1A1L3MBTL1
SCHEMBL21206920 0.80 MAPT (0.44) MAPTALDH1A1L3MBTL1LMNAPOLB
SCHEMBL20465959 0.80 F9 (0.42) PTPN1PTPN2MAPTALDH1A1L3MBTL1
SCHEMBL8857489 0.78 MAPT (0.43) MAPTALDH1A1L3MBTL1LMNAPOLB
SCHEMBL30998121 0.78 MAPT (0.43) MAPTALDH1A1L3MBTL1LMNAPOLB
SCHEMBL15424903 0.77 OGG1 (0.39) PTPN1PTPN2MAPTALDH1A1L3MBTL1
SCHEMBL24948346 0.76 MCL1 (0.43) PTPN1PTPN2MAPTALDH1A1L3MBTL1
SCHEMBL11994243 0.75 THRB (0.48) PTPN1PTPN2MAPTALDH1A1L3MBTL1
SCHEMBL16787756 0.75 OGG1 (0.38) PTPN1PTPN2MAPTALDH1A1L3MBTL1

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-113698382-B Novel thioxanthone visible light initiator and preparation method and application thereof 武汉大学 2022-06-14 CN disclosed
CN-113698382-A Novel thioxanthone visible light initiator and preparation method and application thereof 武汉大学 2021-11-26 CN disclosed