SCHEMBL9127384

SCHEMBL9127384

O=C(Nc1ccc(Sc2ccc(NC(=O)Oc3ccc(Cl)cc3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1)Oc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ GAA P10253 3/20 0.48
▸ GLA P06280 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ROCK2 O75116 1/20 0.42
▸ KMT2A Q03164 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PORCN Q9H237 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ STK39 Q9UEW8 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESRRG P62508 1/20 0.38

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) MAPTKDM4EGAAGLATHRB
SCHEMBL9126559 0.88 MAPT (0.48) MAPTKDM4EGAAGLATHRB
SCHEMBL9122885 0.88 ALDH1A1 (0.52) MAPTKDM4EGAAGLATHRB
SCHEMBL9123385 0.85 ALDH1A1 (0.45) MAPTKDM4EGAAGLATHRB
SCHEMBL9126334 0.84 KDM4E (0.45) MAPTKDM4EGAAGLATHRB
SCHEMBL9125516 0.83 MAPT (0.41) MAPTKDM4EGAAGLATHRB
SCHEMBL9124425 0.82 GAA (0.50) MAPTKDM4EGAAGLATHRB
SCHEMBL9125747 0.82 GAA (0.65) MAPTKDM4EGAAGLATHRB
SCHEMBL9126430 0.82 MAPT (0.47) MAPTKDM4EGAAGLATHRB
SCHEMBL9127274 0.81 KMT2A (0.51) MAPTKDM4EGAAGLATHRB

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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