SCHEMBL9122885

SCHEMBL9122885

O=C(Nc1ccc(Sc2ccc(NC(=O)Oc3ccccc3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.52
▸ MAPT P10636 6/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ GAA P10253 3/20 0.52
▸ USP2 O75604 1/20 0.52
▸ CYP1A2 P05177 1/20 0.47
▸ THRB P10828 2/20 0.47
▸ GFER P55789 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ RAD51 Q06609 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ BLM P54132 1/20 0.47
▸ CASP6 P55212 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ PORCN Q9H237 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ BRD4 O60885 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 0.95 PORCN (0.52) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9126334 0.88 KDM4E (0.45) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9126430 0.88 MAPT (0.47) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9126559 0.88 MAPT (0.48) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9127384 0.88 MAPT (0.48) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9124526 0.88 ALDH1A1 (0.50) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9127274 0.88 KMT2A (0.51) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9123385 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9126479 0.84 MAPT (0.53) ALDH1A1MAPTKDM4EKMT2AGAA
SCHEMBL9124425 0.82 GAA (0.50) ALDH1A1MAPTKDM4EKMT2AGAA

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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