SCHEMBL7930665

SCHEMBL7930665

CCCCOc1c(Nc2c(C)cccc2Cl)c(Nc2c(C)cccc2Cl)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.36
ESR1 P03372 3/20 0.35
PTGS2 P35354 2/20 0.34
LCK P06239 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ELANE P08246 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
KCNH2 Q12809 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 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
SCHEMBL7929756 0.96 MAPK14 (0.35) MAPK14ESR1PTGS2LCKKDM4E
SCHEMBL7928272 0.94 ELANE (0.34) ELANEKCNH2
SCHEMBL7921360 0.93 MAPK14 (0.36) MAPK14ESR1PTGS2LCKKDM4E
SCHEMBL7928316 0.90 ELANE (0.34) ELANE
SCHEMBL7921414 0.89 MAPK14 (0.35) MAPK14ESR1PTGS2LCKKDM4E
SCHEMBL7928353 0.89 ELANE (0.35) ESR1KDM4EELANE
SCHEMBL7930916 0.87 ELANE (0.36) KDM4EELANE
SCHEMBL7928407 0.87 EGFR (0.40) ELANE
SCHEMBL7928355 0.86 ELANE (0.37) ELANEKCNH2
SCHEMBL7930633 0.85 ELANE (0.38) ELANE

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