SCHEMBL9125345

SCHEMBL9125345

O=C(Nc1ccccc1)Oc1ccc([S+]([O-])c2ccc(OC(=O)Nc3ccccc3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ CASP6 P55212 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ USP2 O75604 1/20 0.44
▸ BCHE P06276 2/20 0.43
▸ ACHE P22303 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42

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
SCHEMBL9124882 0.84 GAA (0.49) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9123513 0.81 KMT2A (0.48) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9127274 0.81 KMT2A (0.51) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9126246 0.79 ALDH1A1 (0.66) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9125362 0.75 MAPT (0.67) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9129140 0.75 GAA (0.49) KMT2AGAAALDH1A1MAPTKDM4E
SCHEMBL9124646 0.73 ALDH1A1 (0.69) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9127280 0.73 ALDH1A1 (0.69) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9128325 0.73 GAA (0.56) KMT2AGAAALDH1A1HTTSMN1; SMN2
SCHEMBL9124477 0.72 PORCN (0.50) KMT2AGAAALDH1A1HTTSMN1; 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
Send feedback