SCHEMBL9754264

SCHEMBL9754264

O=C1c2ccccc2C(=O)c2c(OCc3ccccc3)cccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.63
MAPT P10636 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
TTR P02766 1/20 0.50
PTGER1 P34995 3/20 0.47
IDO1 P14902 1/20 0.47
ELANE P08246 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PSMD14 O00487 1/20 0.46
HPGD P15428 1/20 0.46
CRHBP P24387 1/20 0.46
PPARG P37231 1/20 0.46
KMT2A Q03164 1/20 0.46
CRHR2 Q13324 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
HTT P42858 1/20 0.46
TNKS2 Q9H2K2 1/20 0.46

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
SCHEMBL16072720 0.97 KCNA3 (0.58) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL9173435 0.95 KCNA3 (0.56) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL16072723 0.88 MAOA (0.56) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL9639323 0.86 KCNA3 (0.49) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL5766341 0.84 RXRA (0.50) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL16919801 0.83 KCNA3 (0.46) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL16072722 0.83 KCNA3 (0.46) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL16072721 0.83 PTGER1 (0.54) KCNA3MAPTL3MBTL1MAPK1TDP1
SCHEMBL5110392 0.83 S100A4 (0.53) KCNA3MAPTL3MBTL1TDP1KMT2A
SCHEMBL9175523 0.83 NPC1 (0.53) KCNA3MAPTL3MBTL1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190265250-A1 METHOD OF GENOME-WIDE DIRECT IDENTIFICATION OF ELECTROPHILE-SENSING TARGETS CORNELL UNIVERSITY 2019-08-29 US disclosed
CN-108586278-A The preparation and application of a kind of anthraquinone compounds of induction liver cancer cells side apoptosis 广西医科大学 2018-09-28 CN disclosed
WO-1991015954-A1 ANTHRAQUINONES AS INHIBITORS OF SULFIDE PRODUCTION FROM SULFATE-REDUCING BACTERIA E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-31 WO disclosed