SCHEMBL7929756

SCHEMBL7929756

CCCCCCCCOc1c(Nc2c(C)cccc2Cl)c(Nc2c(C)cccc2Cl)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.35
ESR1 P03372 3/20 0.34
PTGS2 P35354 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
CDC25B P30305 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 1/20 0.32
LCK P06239 2/20 0.32
CHRNA7 P36544 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 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
SCHEMBL7930665 0.96 MAPK14 (0.36) MAPK14ESR1PTGS2HDAC6ELANE
SCHEMBL7928316 0.94 ELANE (0.34) CNR1CNR2CDC25BELANECTSG
SCHEMBL7921414 0.93 MAPK14 (0.35) MAPK14ESR1PTGS2HDAC6CDC25B
SCHEMBL7928353 0.93 ELANE (0.35) ESR1CNR1CNR2ELANECTSG
SCHEMBL7928272 0.90 ELANE (0.34) ELANECTSGALDH1A1
SCHEMBL7921360 0.89 MAPK14 (0.36) MAPK14ESR1PTGS2HDAC6ELANE
SCHEMBL7929795 0.88 EGFR (0.39) CNR1CNR2ELANE
SCHEMBL7933317 0.88 CNR1 (0.36) CNR1CNR2ELANEKDM4E
SCHEMBL7930388 0.87 ELANE (0.37) CDC25BELANECTSG
SCHEMBL7933215 0.86 FAAH (0.38) CNR1CNR2ELANECTSG

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