SCHEMBL30002880

SCHEMBL30002880

Brc1c2ccccc2c(-c2cccc3c2sc2ccccc23)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
PARP14 Q460N5 1/20 0.46
PTPN1 P18031 3/20 0.44
GPR3 P46089 1/20 0.43
PRKDC P78527 9/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
BRD4 O60885 1/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PIK3CG P48736 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRDT Q58F21 1/20 0.39
PTPRC P08575 1/20 0.36
PTPRF P10586 1/20 0.36
PTPRA P18433 1/20 0.36
PTPRB P23467 1/20 0.36
PTPN6 P29350 1/20 0.36
DUSP3 P51452 1/20 0.36
PTPN12 Q05209 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
SCHEMBL9890847 0.91 ALOX5 (0.56) ALOX5PARP14PTPN1GPR3PRKDC
SCHEMBL21450764 0.89 ALOX5 (0.54) ALOX5PARP14PTPN1GPR3PRKDC
SCHEMBL23427866 0.84 ALOX5 (0.50) ALOX5PARP14PTPN1GPR3PRKDC
SCHEMBL17539967 0.84 PARP14 (0.50) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL21450758 0.84 ALOX5 (0.58) ALOX5PARP14PTPN1GPR3PRKDC
SCHEMBL23765150 0.83 PTPN1 (0.40) ALOX5PARP14PTPN1PRKDCPIK3CD
SCHEMBL126450 0.83 ALOX5 (0.53) ALOX5PARP14PTPN1GPR3PRKDC
SCHEMBL21377249 0.83 ALOX5 (0.49) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL124825 0.83 ALOX5 (0.49) ALOX5PARP14GPR3PRKDCPIK3CD
SCHEMBL21450771 0.83 ALOX5 (0.56) ALOX5PARP14PTPN1GPR3PRKDC

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-110444693-B Organic electroluminescent device 材料科学有限公司 2022-09-30 CN disclosed