SCHEMBL9127274

SCHEMBL9127274

O=C(Nc1ccccc1)Oc1ccc(Sc2ccc(OC(=O)Nc3ccccc3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ ALDH1A1 P00352 6/20 0.48
▸ GAA P10253 4/20 0.48
▸ HTT P42858 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ USP2 O75604 1/20 0.46
▸ PORCN Q9H237 1/20 0.46
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL9128109 0.88 PORCN (0.52) KMT2AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9122885 0.88 ALDH1A1 (0.52) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL9124425 0.87 GAA (0.50) KMT2AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9126334 0.86 KDM4E (0.45) KMT2AALDH1A1GAAMAPTKDM4E
SCHEMBL9128188 0.85 GAA (0.47) KMT2AALDH1A1GAASMN1; SMN2MAPT
SCHEMBL9124882 0.84 GAA (0.49) KMT2AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9127013 0.83 KMT2A (0.58) KMT2AALDH1A1HTTMAPTKDM4E
SCHEMBL9123513 0.82 KMT2A (0.48) KMT2AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9126430 0.81 MAPT (0.47) KMT2AALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9126246 0.81 ALDH1A1 (0.66) KMT2AALDH1A1GAAHTTSMN1; SMN2

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-0524419-B1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS (JP) 1995-09-06 — — EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 — — US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 — — US disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
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