SCHEMBL7930029

SCHEMBL7930029

CCCCOc1c(Nc2ccccc2)c(Nc2ccccc2)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 2/20 0.43
CCNE2 O96020 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CXCR2 P25025 4/20 0.35
FAAH O00519 1/20 0.34
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BUB1 O43683 1/20 0.33
POLH Q9Y253 1/20 0.33
MCL1 Q07820 1/20 0.33

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
SCHEMBL7933295 0.96 ADAMTS5 (0.39) ADAMTS5FAAH
SCHEMBL7930657 0.92 ADAMTS5 (0.43) ADAMTS5CCNE2CCNE1CDK2CXCR2
SCHEMBL7921285 0.91 ADAMTS5 (0.40) ADAMTS5FAAHTSHRMEN1NPC1
SCHEMBL7927279 0.89 ADAMTS5 (0.44) ADAMTS5FAAHMEN1NPC1ALDH1A1
SCHEMBL7930019 0.88 ADAMTS5 (0.46) ADAMTS5FAAHNPC1RAB9A
SCHEMBL7921278 0.88 ADAMTS5 (0.42) ADAMTS5CXCR2TSHRRECQLMEN1
SCHEMBL7929940 0.87 ELANE (0.34) ADAMTS5CCNE2CCNE1CDK2FAAH
SCHEMBL7927144 0.85 ELANE (0.35) ADAMTS5CCNE2CCNE1CDK2FAAH
SCHEMBL7927126 0.85 ADAMTS5 (0.43) ADAMTS5FAAHTSHRRECQLMEN1
SCHEMBL7928272 0.84 ELANE (0.34) RECQLMEN1NPC1ALDH1A1GAA

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