SCHEMBL28512897

SCHEMBL28512897

c1ccc2c(-c3c(-c4cccc5c4sc4ccccc45)ccc4ccccc34)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.46
ALOX5 P09917 1/20 0.46
DNMT1 P26358 1/20 0.44
GPR3 P46089 1/20 0.39
PRKDC P78527 6/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
NQO1 P15559 1/20 0.37
NQO2 P16083 1/20 0.37
BRD4 O60885 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
KCNH2 Q12809 1/20 0.37
BRDT Q58F21 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL124825 0.85 ALOX5 (0.49) PARP14ALOX5GPR3PRKDCPIK3CD
SCHEMBL25049947 0.84 ALOX5 (0.41) PARP14ALOX5DNMT1GPR3PRKDC
SCHEMBL21304431 0.84 ALOX5 (0.41) PARP14ALOX5DNMT1GPR3PRKDC
SCHEMBL21304467 0.83 ALOX5 (0.40) PARP14ALOX5DNMT1GPR3PRKDC
SCHEMBL22706403 0.83 ALOX5 (0.51) PARP14ALOX5GPR3PRKDCPIK3CD
SCHEMBL17944884 0.83 ALOX5 (0.43) PARP14ALOX5DNMT1GPR3PRKDC
SCHEMBL15784295 0.82 PARP14 (0.42) PARP14ALOX5GPR3PRKDCPIK3CD
SCHEMBL22889193 0.82 DNMT1 (0.40) PARP14ALOX5DNMT1GPR3PRKDC
SCHEMBL25049971 0.82 ALOX5 (0.42) PARP14ALOX5DNMT1GPR3PRKDC
SCHEMBL25050654 0.82 ALOX5 (0.39) PARP14ALOX5DNMT1GPR3PRKDC

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-112175178-B Polycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2023-04-11 CN disclosed
CN-112175178-A Polycarbonate and preparation method and application thereof 万华化学集团股份有限公司 2021-01-05 CN disclosed