SCHEMBL7927465

SCHEMBL7927465

CCCCNc1c(Nc2ccc(C#N)cc2)c(OCCCC)c2c(c1OCCCC)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.40
ADAMTS5 Q9UNA0 2/20 0.39
ABCB1 P08183 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
TBXA2R P21731 2/20 0.35
CXCR2 P25025 2/20 0.34
CYP19A1 P11511 1/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PSMB5 P28074 1/20 0.33
CACNA1H O95180 1/20 0.32

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
SCHEMBL7929765 0.89 TBXA2R (0.37) MGLLABCG2TBXA2RCXCR2
SCHEMBL7921278 0.86 ADAMTS5 (0.42) ADAMTS5CXCR2CYP19A1KDM4EHPGD
SCHEMBL7930614 0.84 ADAMTS5 (0.40) MGLLADAMTS5TBXA2RCXCR2KDM4E
SCHEMBL7927081 0.83 MAPT (0.42) MGLLADAMTS5TBXA2RCXCR2KDM4E
SCHEMBL7928384 0.82 MAPT (0.49) KDM4EHPGDCA1CA2CA9
SCHEMBL7929944 0.82 TSHR (0.39) CXCR2CYP19A1KDM4EGAAHPGD
SCHEMBL7933074 0.80 TBXA2R (0.38) MGLLADAMTS5TBXA2RCXCR2KDM4E
SCHEMBL7933149 0.79 CDC25B (0.37) MGLLADAMTS5TBXA2RCXCR2KDM4E
SCHEMBL7927279 0.77 ADAMTS5 (0.44) ADAMTS5KDM4EHPGDCA1CA2
SCHEMBL7921285 0.77 ADAMTS5 (0.40) ADAMTS5GAACA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed