SCHEMBL11757433

SCHEMBL11757433

CCOc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.48
▸ CSNK2A2 P19784 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ CSNK2A3 Q8NEV1 1/20 0.48
▸ HPGD P15428 3/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ CSNK1A1 P48729 1/20 0.43
▸ CSNK1D P48730 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ PLEC Q15149 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CSNK1G1 Q9HCP0 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ MAPT P10636 5/20 0.38

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
SCHEMBL11047837 0.91 NQO1 (0.46) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10865187 0.89 NQO1 (0.44) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10939437 0.88 NQO1 (0.44) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9089167 0.88 NQO1 (0.44) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL13674421 0.87 NQO1 (0.43) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL9649124 0.86 CSNK2A2 (0.51) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL13671232 0.86 NQO1 (0.44) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10937987 0.86 FFAR1 (0.42) HPGDTDP1MEN1KMT2ACTDSP1
SCHEMBL15586702 0.86 CSNK2A2 (0.48) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10938771 0.85 FFAR1 (0.39) NQO1HPGDTDP1MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008222-A POLYESTERS BAYER AKTIENGESELLSCHAFT (DT) 1977-02-15 — — US disclosed
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