SCHEMBL7929772

SCHEMBL7929772

O=C1c2c(O)ccc(O)c2C(=O)c2c(F)c(Nc3ccc(S(=O)(=O)O)cc3)c(F)c(F)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
TSHR P16473 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
PTPRA P18433 1/20 0.39
PTPRB P23467 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.37
SNCA P37840 2/20 0.36
PRKCA P17252 1/20 0.36
SOS1 Q07889 3/20 0.35
HSD17B10 Q99714 2/20 0.35

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
SCHEMBL7928254 0.82 CXCR2 (0.45) HIF1ACYP3A4TSHRTP53HPGD
SCHEMBL7929862 0.81 CYP3A4 (0.49) HIF1ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL7921197 0.79 MAPT (0.43) CA1CA2HPGDSMN1; SMN2LMNA
SCHEMBL7928605 0.79 MEN1 (0.40) HIF1ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL7930796 0.79 CXCR2 (0.44) HIF1ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL7921289 0.77 CSNK2A2 (0.39) HIF1ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL7930883 0.75 CXCR2 (0.47) HIF1ACYP3A4TSHRTP53HPGD
SCHEMBL7927158 0.74 CYP3A4 (0.51) HIF1ACYP1A2CYP3A4TSHRCYP2D6
SCHEMBL7927180 0.73 MAPT (0.53) CYP1A2CYP3A4TSHRCYP2D6CYP2C9
SCHEMBL7921288 0.72 MAPT (0.46) CA1CA2HPGDSMN1; SMN2LMNA

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