SCHEMBL7930645

SCHEMBL7930645

CCCCCCCCNc1c(F)c(F)c2c(c1F)C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
NAAA Q02083 2/20 0.44
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA13 Q8N1Q1 2/20 0.40
GPR84 Q9NQS5 4/20 0.39
TRPV1 Q8NER1 1/20 0.37
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
FTO Q9C0B1 1/20 0.37
EGFR P00533 3/20 0.37
MEN1 O00255 2/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
MAPK1 P28482 2/20 0.37
RECQL P46063 2/20 0.37
BLM P54132 2/20 0.37

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
SCHEMBL7933097 0.94 CYP19A1 (0.47) CYP19A1NAAACA12CA1CA2
SCHEMBL7933255 0.84 CYP19A1 (0.46) CYP19A1NAAAELANECTSGFTO
SCHEMBL7930616 0.82 CYP19A1 (0.41) CYP19A1CA12CA1CA2CA7
SCHEMBL7921182 0.79 SOAT1 (0.41)
SCHEMBL7930584 0.78 HDAC1 (0.40) CYP19A1CA12CA1CA2MEN1
SCHEMBL11371344 0.78 CYP19A1 (0.71) CYP19A1NAAAGPR84ELANECTSG
SCHEMBL7930025 0.78 CYP19A1 (0.34) CYP19A1NAAAELANECTSGEGFR
SCHEMBL8737131 0.77 ALDH1A1 (0.52) EGFRMEN1USP2LMNATP53
SCHEMBL27552289 0.75 KMT2A (0.45) CA12CA1CA2CA7CA13
SCHEMBL7930620 0.74 HDAC3 (0.45) CYP19A1CA1CA2MEN1LMNA

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