SCHEMBL7928231

SCHEMBL7928231

COc1cccc(Nc2ccc3c(c2)C(=O)c2c(O)ccc(O)c2C3=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
GAA P10253 1/20 0.53
MTNR1B P49286 6/20 0.52
MTNR1A P48039 4/20 0.52
POLB P06746 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
OPRM1 P35372 1/20 0.51
OPRD1 P41143 1/20 0.51
RAB9A P51151 1/20 0.51
MCL1 Q07820 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CASP3 P42574 1/20 0.49
EGFR P00533 2/20 0.49
PIM1 P11309 1/20 0.49
P2RY2 P41231 2/20 0.47
P2RY4 P51582 2/20 0.47
P2RY12 Q9H244 2/20 0.47

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
SCHEMBL7928282 0.88 APP (0.56) MEN1KMT2AGAAPOLBMAPT
SCHEMBL7930873 0.82 MEN1 (0.56) MEN1KMT2APOLBMAPTNPC1
SCHEMBL7927191 0.81 EGFR (0.51) MEN1KMT2AGAAPOLBMAPT
SCHEMBL7930649 0.79 MEN1 (0.58) MEN1KMT2AGAAMTNR1BMTNR1A
SCHEMBL7927100 0.77 MEN1 (0.57) MEN1KMT2AGAAMTNR1BMTNR1A
SCHEMBL7933233 0.77 DHODH (0.47) MEN1KMT2APOLBMAPTNPC1
SCHEMBL7921190 0.76 P2RX1 (0.46) MEN1KMT2AMAPTSTK10SLK
SCHEMBL7927188 0.76 CDC25B (0.58) MEN1KMT2APOLBMAPTNPC1
SCHEMBL7928287 0.75 P2RY2 (0.48) MEN1KMT2APOLBMAPTNPC1
SCHEMBL7921179 0.75 MEN1 (0.44) MEN1KMT2APOLBMAPTNPC1

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