SCHEMBL7930671

SCHEMBL7930671

CCCCOc1c(F)c2c(c(F)c1Nc1cccc([N+](=O)[O-])c1)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MAPT P10636 5/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NPC1 O15118 2/20 0.43
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TLR8 Q9NR97 1/20 0.42
RAF1 P04049 1/20 0.40
BRAF P15056 1/20 0.40
CXCR2 P25025 1/20 0.39
ALDH1A1 P00352 3/20 0.38
ALOX12 P18054 2/20 0.38
HPGD P15428 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
SCHEMBL7929794 0.88 PKM (0.44) KMT2AMAPTLMNAMEN1NPSR1
SCHEMBL7930855 0.85 TLR8 (0.44) KMT2AMAPTLMNAMEN1NPSR1
SCHEMBL7933240 0.85 PKM (0.41) KMT2AMAPTLMNAMEN1NPSR1
SCHEMBL7930657 0.84 ADAMTS5 (0.43) KMT2AMAPTLMNAMEN1NPSR1
SCHEMBL7933041 0.82 PDE4B (0.38) CXCR2EGFRERBB2
SCHEMBL7921271 0.81 CSNK2A2 (0.42) KMT2AMAPTLMNAMEN1NPC1
SCHEMBL7927276 0.81 MAPT (0.43) KMT2AMAPTLMNAMEN1NPC1
SCHEMBL7929768 0.80 SMN1; SMN2 (0.53) KMT2AMAPTLMNAMEN1NPC1
SCHEMBL7930880 0.79 SMN1; SMN2 (0.47) KMT2AMAPTLMNAMEN1NPC1
SCHEMBL7930633 0.79 ELANE (0.38) KMT2AMAPTMEN1NPC1GAA

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