SCHEMBL7927149

SCHEMBL7927149

Cc1cccc(Cl)c1Nc1c(F)c2c(c(Nc3c(C)cccc3Cl)c1Nc1c(C)cccc1Cl)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
LCK P06239 7/20 0.39
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CXCR2 P25025 1/20 0.37
GAA P10253 1/20 0.36
DHODH Q02127 1/20 0.35
CXCL8 P10145 1/20 0.34
CHRNA7 P36544 2/20 0.34
SRC P12931 1/20 0.34
MAPK14 Q16539 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL7929769 0.96 PTGS2 (0.41) PTGS2LCKPDK1PDK2PDK3
SCHEMBL7933236 0.91 PTGS2 (0.40) PTGS2LCKPDK1PDK2PDK3
SCHEMBL7921267 0.86 CXCR2 (0.44) PTGS2CXCR2GAADHODH
SCHEMBL7933254 0.86 MAPT (0.39) PTGS2GAACXCL8
SCHEMBL7921206 0.85 EGFR (0.41) PTGS2LCK
SCHEMBL7930665 0.81 MAPK14 (0.36) PTGS2LCKMAPK14
SCHEMBL6682946 0.81 DHODH (0.43) PTGS2LCKPDK1PDK2PDK3
SCHEMBL7921338 0.81 MAPT (0.37) PTGS2GAACXCL8
SCHEMBL7929777 0.81 CXCR2 (0.42) CXCR2GAADHODH
SCHEMBL7921360 0.80 MAPK14 (0.36) PTGS2LCKCHRNA7MAPK14

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