SCHEMBL7928265

SCHEMBL7928265

CCCCOc1c(F)c2c(c(F)c1Nc1ccccc1C#N)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.38
STK4 Q13043 1/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.35
CXCR2 P25025 1/20 0.35
NLRP3 Q96P20 1/20 0.34
SRC P12931 1/20 0.33
CDK4 P11802 1/20 0.33
CDK2 P24941 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MAPK1 P28482 1/20 0.32
STK17B O94768 1/20 0.32
PDE7A Q13946 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
SCHEMBL7929944 0.84 TSHR (0.39) TSHRL3MBTL1GAAALDH1A1CXCR2
SCHEMBL7933039 0.82 CXCR2 (0.45) TSHRL3MBTL1GAACXCR2CA12
SCHEMBL7930657 0.82 ADAMTS5 (0.43) L3MBTL1GAAALDH1A1CXCR2CDK4
SCHEMBL7930614 0.82 ADAMTS5 (0.40) L3MBTL1STK4GAAALDH1A1CXCR2
SCHEMBL7927276 0.81 MAPT (0.43) TSHRL3MBTL1GAACDK4CDK2
SCHEMBL7933041 0.80 PDE4B (0.38) CXCR2
SCHEMBL7933247 0.80 CXCR2 (0.43) TSHRL3MBTL1GAACXCR2CA12
SCHEMBL7930633 0.79 ELANE (0.38) L3MBTL1GAAALDH1A1CXCR2
SCHEMBL7930686 0.79 ELANE (0.38) L3MBTL1GAAALDH1A1CDK4CDK2
SCHEMBL7928355 0.78 ELANE (0.37) L3MBTL1GAAALDH1A1CA12CA1

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
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US 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