SCHEMBL7928581

SCHEMBL7928581

CCCCCCCCOc1c(F)c2c(c(F)c1Nc1c(C)cccc1[N+](=O)[O-])C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
APEX1 P27695 1/20 0.38
CASP6 P55212 1/20 0.38
KCNMA1 Q12791 1/20 0.37
TBXA2R P21731 1/20 0.35
CXCR2 P25025 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34

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 0.96 CSNK2A2 (0.42) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP3A4
SCHEMBL7929873 0.90 ELANE (0.38) ESR1THRATHRBELANECTSG
SCHEMBL7930633 0.85 ELANE (0.38) MAPTCXCR2L3MBTL1ELANECTSG
SCHEMBL7921414 0.85 MAPK14 (0.35) ESR1ELANECTSG
SCHEMBL7933232 0.85 CSNK2A2 (0.46) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP3A4
SCHEMBL7927277 0.83 PTPN1 (0.39)
SCHEMBL7927276 0.83 MAPT (0.43) CSNK2A2CSNK2BCSNK2A1CSNK2A3CYP3A4
SCHEMBL7928353 0.83 ELANE (0.35) ESR1THRATHRBELANECTSG
SCHEMBL7928250 0.81 ELANE (0.40) ELANECTSG
SCHEMBL7933240 0.81 PKM (0.41) 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