SCHEMBL7929771

SCHEMBL7929771

CCCCOc1c(Nc2ccccc2OCC)c(Nc2ccccc2OCC)c(F)c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.41
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
KMT2A Q03164 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.35
P2RY2 P41231 1/20 0.35
ALOX15 P16050 1/20 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
SCHEMBL7921208 0.96 GAA (0.40) GAACA12CA1CA2CA9
SCHEMBL7930916 0.86 ELANE (0.36) KMT2AMEN1TSHR
SCHEMBL7930029 0.84 ADAMTS5 (0.43) GAAKMT2AALDH1A1MAPTMEN1
SCHEMBL7933317 0.82 CNR1 (0.36) KMT2AMEN1
SCHEMBL7927279 0.82 ADAMTS5 (0.44) CA12CA1CA2CA9KMT2A
SCHEMBL7930152 0.82 ELANE (0.37) GAAKMT2AMAPTMEN1TSHR
SCHEMBL7927144 0.81 ELANE (0.35) GAAKMT2AHSD17B10ALDH1A1MAPT
SCHEMBL7927099 0.80 SOAT1 (0.37)
SCHEMBL7929940 0.80 ELANE (0.34) GAACA12CA1CA2CA9
SCHEMBL7928272 0.80 ELANE (0.34) GAACA12CA1CA2CA9

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