SCHEMBL7929940

SCHEMBL7929940

CCCCOc1c(Nc2c(Br)cccc2Br)c(Nc2c(Br)cccc2Br)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.34
ESR1 P03372 1/20 0.34
FAAH O00519 4/20 0.33
ADAMTS5 Q9UNA0 2/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
CDK2 P24941 2/20 0.33
CTSG P08311 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL7929762 0.96 SMPD1 (0.35) ELANEFAAHTHRATHRBCTSG
SCHEMBL7927144 0.88 ELANE (0.35) ELANEFAAHADAMTS5CDK2CTSG
SCHEMBL7928272 0.87 ELANE (0.34) ELANECTSGCA12CA1CA2
SCHEMBL7930029 0.87 ADAMTS5 (0.43) FAAHADAMTS5CDK2MEN1NPC1
SCHEMBL7928267 0.86 ELANE (0.37) ELANECTSGMEN1NPC1ALDH1A1
SCHEMBL7928247 0.86 ELANE (0.41) ELANECTSG
SCHEMBL7927099 0.85 SOAT1 (0.37)
SCHEMBL7933215 0.85 FAAH (0.38) ELANEFAAHCDK2CTSGCCNB2
SCHEMBL7921285 0.84 ADAMTS5 (0.40) ESR1FAAHADAMTS5CA12CA1
SCHEMBL7930360 0.84 ELANE (0.37) ELANEFAAHCTSG

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