SCHEMBL848680

SCHEMBL848680

Cc1cc(Nc2ccccc2)c2c(c1O)C(=O)c1c(C)ccc(C)c1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAUR Q03405 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ USP2 O75604 1/20 0.45
▸ P2RY12 Q9H244 6/20 0.45
▸ P2RY4 P51582 7/20 0.42
▸ P2RY2 P41231 6/20 0.42
▸ P2RY6 Q15077 4/20 0.42
▸ P2RY1 P47900 3/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ GAA P10253 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CYTH2 Q99418 1/20 0.40
▸ CXCR2 P25025 3/20 0.40
▸ ELANE P08246 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL12798067 0.88 P2RY12 (0.53) PLAURKDM4EMAPTMEN1KMT2A
SCHEMBL25950758 0.82 PTPRA (0.46) KDM4EMAPTMEN1KMT2AP2RY12
SCHEMBL13038968 0.81 MAPT (0.51) KDM4EMAPTMEN1KMT2AP2RY12
SCHEMBL7643321 0.75 P2RY12 (0.54) MAPTMEN1KMT2AP2RY12P2RY4
SCHEMBL12593742 0.73 P2RY12 (0.72) P2RY12P2RY4P2RY2P2RY6P2RY1
SCHEMBL10460345 0.73 GAA (0.45) KDM4EMAPTMEN1KMT2AGAA
SCHEMBL11553856 0.72 P2RY4 (0.53) PLAURMAPTMEN1KMT2AP2RY12
SCHEMBL13346022 0.72 P2RY12 (0.54) MAPTMEN1KMT2AP2RY12P2RY4
SCHEMBL1476308 0.71 PTPRA (0.53) KDM4EMAPTMEN1KMT2AP2RY12
SCHEMBL13316762 0.70 P2RY4 (0.59) KDM4EMAPTMEN1KMT2AP2RY4

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
US-8142520-B2 Blue anthraquinone dyes, production and use thereof DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-03-27 — — US disclosed
US-20100064452-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-18 — — US disclosed
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