SCHEMBL7930855

SCHEMBL7930855

CCCCNc1c(Nc2cccc([N+](=O)[O-])c2)c(OCCCC)c2c(c1OCCCC)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
LMNA P02545 5/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPK1 P28482 2/20 0.41
XBP1 P17861 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
FLT3 P36888 1/20 0.38
TYRO3 Q06418 1/20 0.38

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
SCHEMBL7927081 0.89 MAPT (0.42) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7930671 0.85 KMT2A (0.43) TLR8LMNAMAPTKMT2AMEN1
SCHEMBL7921278 0.84 ADAMTS5 (0.42) TLR8LMNAKMT2AMEN1SMN1; SMN2
SCHEMBL7929765 0.83 TBXA2R (0.37) TBXA2RCXCR2
SCHEMBL7921272 0.81 KMT2A (0.41) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7927091 0.81 SMN1; SMN2 (0.52) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7927465 0.76 MGLL (0.40) GAATBXA2RCXCR2HPGDKDM4E
SCHEMBL7928384 0.75 MAPT (0.49) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7929794 0.73 PKM (0.44) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL7930029 0.73 ADAMTS5 (0.43) MAPTKMT2AMEN1GAANPC1

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