SCHEMBL28913097

SCHEMBL28913097

O=C(O)c1ccccc1-c1cc(-c2ccccc2)cs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HNF4A P41235 3/20 0.46
HDAC6 Q9UBN7 1/20 0.44
PTPN1 P18031 1/20 0.44
ALDH1A1 P00352 3/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
ACMSD Q8TDX5 3/20 0.42
DHFR P00374 1/20 0.42
MCL1 Q07820 1/20 0.42
CDC25B P30305 1/20 0.42
ATM Q13315 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL28864485 0.84 CES2 (0.41) NPC1RAB9ASMN1; SMN2HDAC6HSD17B1
SCHEMBL27556906 0.78 HSD17B1 (0.44) HDAC6ALDH1A1HPGDHSD17B1HSD17B2
Biphenyl SCHEMBL6250985 0.78 HNF4A (0.63) NPC1RAB9ASMN1; SMN2HNF4APTPN1
Hydrogen Sulfide SCHEMBL27747421 0.77 HSD17B1 (0.43) HDAC6ALDH1A1HPGDHSD17B1HSD17B2
Trifluoroacetic Acid SCHEMBL27554020 0.76 HDAC6 (0.55) HDAC6HSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL28307152 0.76 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL3570885 0.76 SLC6A4 (0.41) HDAC6PTPN1ALDH1A1ALOX15HSD17B1
Biphenyl SCHEMBL9292498 0.76 HNF4A (0.67) NPC1RAB9ASMN1; SMN2HNF4APTPN1
SCHEMBL505412 0.74 HNF4A (0.64) NPC1RAB9ASMN1; SMN2HNF4APTPN1
SCHEMBL32677769 0.74 HNF4A (0.64) NPC1RAB9ASMN1; SMN2HNF4APTPN1

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-106795107-B Sulfonate compound, photoacid generator, and resin composition for lithography 三亚普罗股份有限公司 2021-05-28 CN disclosed