SCHEMBL17322307

SCHEMBL17322307

O=C1c2cc(Br)ccc2-c2cccc3cccc1c23

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.64
PABPC1 P11940 2/20 0.63
DNMT1 P26358 2/20 0.63
CASP1 P29466 2/20 0.63
CASP7 P55210 2/20 0.63
CYP3A4 P08684 1/20 0.63
PTPRC P08575 1/20 0.61
S100A4 P26447 1/20 0.59
ALDH1A1 P00352 4/20 0.55
MCL1 Q07820 2/20 0.55
CES2 O00748 1/20 0.55
BCHE P06276 1/20 0.55
CES1 P23141 1/20 0.55
MAPK1 P28482 4/20 0.49
CYP1A2 P05177 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TSHR P16473 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL29459426 0.93 CASP1 (0.63) BCL2PABPC1DNMT1CASP1CASP7
SCHEMBL17283498 0.93 CASP1 (0.63) BCL2PABPC1DNMT1CASP1CASP7
SCHEMBL29709293 0.87 ALDH1A1 (0.58) BCL2PABPC1DNMT1CASP1CASP7
SCHEMBL5011063 0.87 ALDH1A1 (0.58) BCL2PABPC1DNMT1CASP1CASP7
SCHEMBL29570329 0.85 BCL2 (0.85) BCL2PTPRCS100A4MCL1CES1
SCHEMBL14096709 0.85 BCL2 (0.85) BCL2PTPRCS100A4MCL1CES1
SCHEMBL13030543 0.85 BCL2 (0.85) BCL2PTPRCS100A4MCL1CES1
SCHEMBL2800725 0.81 BCL2 (0.63) BCL2PABPC1PTPRCS100A4ALDH1A1
SCHEMBL29827415 0.81 PTPRC (0.91) BCL2CYP3A4PTPRCS100A4ALDH1A1
SCHEMBL824162 0.81 PTPRC (0.91) BCL2CYP3A4PTPRCS100A4ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111018783-A Spirobenzanthrone derivatives and electronic devices 苏州久显新材料有限公司 2020-04-17 CN disclosed
CN-110950829-A Spirobenzanthrone derivatives and electronic devices 苏州久显新材料有限公司 2020-04-03 CN disclosed
US-20150357575-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-10 US disclosed
US-20150357575-A1 AMINE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-10 US disclosed