SCHEMBL9128109

SCHEMBL9128109

O=C(Nc1ccc(Sc2ccc(NC(=O)Oc3ccc(-c4ccccc4)cc3)cc2-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PORCN Q9H237 2/20 0.52
▸ MAPT P10636 6/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ GAA P10253 4/20 0.48
▸ THRB P10828 2/20 0.48
▸ GFER P55789 2/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ CASP6 P55212 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MEN1 O00255 3/20 0.45
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ DEGS1 O15121 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 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
SCHEMBL9122885 0.95 ALDH1A1 (0.52) PORCNMAPTKDM4EGAATHRB
SCHEMBL9126334 0.88 KDM4E (0.45) PORCNMAPTKDM4EGAATHRB
SCHEMBL9126430 0.88 MAPT (0.47) PORCNMAPTKDM4EGAATHRB
SCHEMBL9127384 0.88 MAPT (0.48) PORCNMAPTKDM4EGAATHRB
SCHEMBL9126559 0.88 MAPT (0.48) PORCNMAPTKDM4EGAATHRB
SCHEMBL9127274 0.88 KMT2A (0.51) PORCNMAPTKDM4EGAATHRB
SCHEMBL9124526 0.86 ALDH1A1 (0.50) PORCNMAPTKDM4EGAATHRB
SCHEMBL9123385 0.85 ALDH1A1 (0.45) PORCNMAPTKDM4EGAATHRB
SCHEMBL9124477 0.84 PORCN (0.50) PORCNMAPTKDM4EGAATHRB
SCHEMBL9125362 0.83 MAPT (0.67) PORCNMAPTKDM4EGAATHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback