SCHEMBL23868686

SCHEMBL23868686

N=C(/N=C(\N)Nc1ccc(C(=O)OCCCCOC(=O)c2cc(O)cc(O)c2)cc1)Nc1ccc(C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MAPT P10636 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ HTT P42858 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PRSS1 P07477 2/20 0.36
▸ PRSS2 P07478 2/20 0.36
▸ PRSS3 P35030 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ ADRB1 P08588 1/20 0.35
▸ ADRB3 P13945 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ TSHR P16473 2/20 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
SCHEMBL18117677 0.79 HPGD (0.62) HPGDRECQLMAPTKMT2AMEN1
SCHEMBL8382842 0.70 TDP1 (0.58) MAPTGAALMNATDP1ADRB2
SCHEMBL23868787 0.69 ALB (0.41) HPGDMAPTKMT2AMEN1HTT
SCHEMBL7425569 0.68 HPGD (0.66) HPGDRECQLMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL7391354 0.67 HPGD (0.64) HPGDRECQLMAPTKMT2AMEN1
SCHEMBL14197760 0.67 ALDH1A1 (0.51) MAPTGAAPRSS1PRSS2PRSS3
SCHEMBL12527960 0.67 TDP1 (0.53) HPGDRECQLMAPTGAAPRSS1
SCHEMBL8162691 0.66 HPGD (0.72) HPGDRECQLMAPTKMT2AMEN1
SCHEMBL4419075 0.66 CA12 (0.62) TDP1ESR1
SCHEMBL8944249 0.66 CA12 (0.62) TDP1ESR1

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-20210301180-A1 COMPOSITION, THERMALLY CONDUCTIVE SHEET, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER FUJIFILM CORPORATION (JP) 2021-09-30 — — US disclosed
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