SCHEMBL9150336

SCHEMBL9150336

CSc1ccc(OC(=O)Nc2cccc(O)c2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ CA12 O43570 2/20 0.40
▸ CA1 P00915 2/20 0.40
▸ CA2 P00918 2/20 0.40
▸ CA7 P43166 2/20 0.40
▸ CA9 Q16790 2/20 0.40
▸ CA14 Q9ULX7 2/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ PLK3 Q9H4B4 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ RAB9A P51151 2/20 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
SCHEMBL8654626 0.85 GAA (0.56) KMT2AMEN1TRPV1CA12CA1
SCHEMBL8653617 0.85 KMT2A (0.45) KMT2AMEN1TRPV1CA12CA1
SCHEMBL10489991 0.85 RAB9A (0.44) KMT2AMEN1TRPV1ALDH1A1KDM4E
SCHEMBL8655082 0.85 TRPV1 (0.55) KMT2AMEN1TRPV1CA12CA1
SCHEMBL8654717 0.83 MEN1 (0.51) KMT2AMEN1TRPV1CA12CA1
SCHEMBL9150855 0.83 MEN1 (0.62) KMT2AMEN1TRPV1CA12CA1
SCHEMBL9151062 0.82 ALDH1A1 (0.53) KMT2AMEN1CA12CA1CA2
SCHEMBL9147350 0.82 MAPT (0.56) KMT2AMEN1TRPV1CA12CA1
SCHEMBL9150817 0.80 PLK1 (0.48) KMT2AMEN1TRPV1CA12CA1
SCHEMBL9149345 0.80 KMT2A (0.49) KMT2AMEN1TRPV1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 — — US disclosed
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