SCHEMBL10939437

SCHEMBL10939437

CCCCCCCCCOc1ccc(-c2cc(N)c3c(c2O)C(=O)c2c(N)ccc(O)c2C3=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.43
▸ CSNK2B P67870 1/20 0.43
▸ CSNK2A1 P68400 1/20 0.43
▸ CSNK2A3 Q8NEV1 1/20 0.43
▸ NR5A1 Q13285 1/20 0.42
▸ RARB P10826 3/20 0.42
▸ ALDH2 P05091 1/20 0.41
▸ PTPN11 Q06124 2/20 0.41
▸ GPR84 Q9NQS5 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL9089167 1.00 NQO1 (0.44) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10865187 0.99 NQO1 (0.44) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11047837 0.97 NQO1 (0.46) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL19728590 0.94 NR5A1 (0.44) NR5A1RARBALDH2PTPN11GPR84
SCHEMBL11122832 0.92 NR5A1 (0.46) NR5A1RARBALDH2PTPN11GPR84
SCHEMBL11140829 0.90 GPR84 (0.47) NR5A1RARBALDH2PTPN11GPR84
SCHEMBL6497175 0.88 NQO1 (0.44) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL11757433 0.88 NQO1 (0.48) NQO1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL10935376 0.87 NR5A1 (0.42) NR5A1RARBALDH2PTPN11GPR84
SCHEMBL3701554 0.87 CSNK2A2 (0.43) CSNK2A2CSNK2BCSNK2A1CSNK2A3NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4555355-A Composition for liquid crystal color display MITSUI TOATSU CHEMICALS, INC. (JP) 1985-11-26 — — US disclosed
US-4459218-A Composition for liquid crystal color display MITSUI TOATSU CHEMICALS, INC. (JP) 1984-07-10 — — US disclosed
EP-0060895-A1 COMPOSITION FOR LIQUID CRYSTAL COLOR DISPLAY MITSUI TOATSU CHEMICALS, Inc. (JP) 1982-09-29 — — EP disclosed
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