SCHEMBL7927276

SCHEMBL7927276

CCCCOc1c(F)c2c(c(F)c1Nc1ccccc1[N+](=O)[O-])C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
CASP6 P55212 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
CYP3A4 P08684 3/20 0.41
TSHR P16473 2/20 0.41
HIF1A Q16665 2/20 0.41
TP53 P04637 2/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RAF1 P04049 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41

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
SCHEMBL7921271 0.87 CSNK2A2 (0.42) MAPTPOLBAPEX1CASP6SMN1; SMN2
SCHEMBL7921272 0.85 KMT2A (0.41) MAPTPOLBAPEX1CASP6SMN1; SMN2
SCHEMBL7928581 0.83 CSNK2A2 (0.40) MAPTPOLBAPEX1CASP6SMN1; SMN2
SCHEMBL7930683 0.83 CYP3A4 (0.56) MAPTPOLBAPEX1CASP6SMN1; SMN2
SCHEMBL7929794 0.82 PKM (0.44) MAPTSMN1; SMN2CYP3A4TSHRHIF1A
SCHEMBL7928265 0.81 TSHR (0.41) TSHRMAPK1GAAL3MBTL1CDK4
SCHEMBL7930657 0.81 ADAMTS5 (0.43) MAPTKMT2AMEN1MAPK1NPC1
SCHEMBL7930671 0.81 KMT2A (0.43) MAPTPOLBSMN1; SMN2HPGDKMT2A
SCHEMBL7930479 0.81 CYP3A4 (0.54) MAPTPOLBAPEX1CASP6SMN1; SMN2
SCHEMBL7933240 0.78 PKM (0.41) MAPTSMN1; SMN2CYP3A4TSHRHIF1A

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