SCHEMBL28048862

SCHEMBL28048862

O=C1c2ccc(-c3cccc4cc5ccccc5cc34)cc2C(=O)c2ccc(-c3cccc4cc5ccccc5cc34)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 6/20 0.49
PTPN1 P18031 3/20 0.49
EDNRB P24530 1/20 0.45
EDNRA P25101 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
APAF1 O14727 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
XBP1 P17861 1/20 0.44
PTBP1 P26599 1/20 0.44
HTT P42858 1/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
SMAD3 P84022 1/20 0.44
ATM Q13315 1/20 0.44

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
SCHEMBL4264669 0.86 EDNRB (0.57) PTPRCPTPN1EDNRBEDNRANPC1
SCHEMBL1820911 0.86 EDNRB (0.57) PTPRCPTPN1EDNRBEDNRANPC1
SCHEMBL30819040 0.86 EDNRB (0.57) PTPRCPTPN1EDNRBEDNRANPC1
SCHEMBL21524609 0.84 EDNRB (0.56) PTPRCPTPN1EDNRBEDNRANPC1
SCHEMBL21880031 0.82 EDNRB (0.57) PTPRCPTPN1EDNRBEDNRANPC1
SCHEMBL22799463 0.82 EDNRB (0.57) PTPRCPTPN1EDNRBEDNRANPC1
SCHEMBL28341419 0.81 GSTP1 (0.52) L3MBTL1TSHRGSTP1CASP1CASP7
SCHEMBL537003 0.81 ALDH1A1 (0.44) SMN1; SMN2MEN1KMT2AMAPTL3MBTL1
SCHEMBL12553058 0.80 PTPRC (0.67) PTPRCPTPN1NPC1RAB9ASMN1; SMN2
SCHEMBL1041948 0.80 GSTP1 (0.55) TSHRGSTP1CASP1CASP7ALDH1A1

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-102795983-B Anthraquinone derivative material and its preparation method and application Haiyangwang Lighting Technology Co., Ltd. (CN) 2016-01-20 CN disclosed