SCHEMBL7930683

SCHEMBL7930683

O=C1c2c(O)ccc(O)c2C(=O)c2c(F)c(Nc3ccccc3[N+](=O)[O-])c(Nc3ccccc3[N+](=O)[O-])c(F)c21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
TSHR P16473 2/20 0.56
HIF1A Q16665 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
CASP6 P55212 1/20 0.54
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPK1 P28482 4/20 0.50
TDP1 Q9NUW8 3/20 0.50
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
CSNK2A2 P19784 1/20 0.50
CSNK2B P67870 1/20 0.50
CSNK2A1 P68400 1/20 0.50
CSNK2A3 Q8NEV1 1/20 0.50

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
SCHEMBL7930479 0.95 CYP3A4 (0.54) CYP3A4TSHRHIF1ASMN1; SMN2TP53
SCHEMBL7927276 0.83 MAPT (0.43) CYP3A4TSHRHIF1ASMN1; SMN2TP53
SCHEMBL6653775 0.81 MAPT (0.50) CYP3A4HIF1ASMN1; SMN2TP53MAPT
SCHEMBL29502787 0.81 MAPT (0.50) CYP3A4HIF1ASMN1; SMN2TP53MAPT
SCHEMBL7928257 0.76 TSHR (0.50) CYP3A4TSHRHIF1ASMN1; SMN2TP53
SCHEMBL7929792 0.75 MAPT (0.57) CYP3A4TSHRHIF1ASMN1; SMN2TP53
SCHEMBL7927158 0.75 CYP3A4 (0.51) CYP3A4TSHRHIF1ASMN1; SMN2TP53
SCHEMBL11037999 0.74 CYP3A4 (0.68) CYP3A4TSHRHIF1ASMN1; SMN2TP53
SCHEMBL7933046 0.74 ALDH1A1 (0.39) CYP3A4TSHRHIF1ASMN1; SMN2TP53
SCHEMBL11796394 0.74 CYP3A4 (0.68) CYP3A4TSHRHIF1ASMN1; SMN2TP53

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