SCHEMBL10608486

SCHEMBL10608486

CC(=O)COc1ccc(NC(C)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
LMNA P02545 1/20 0.71
CYP1A2 P05177 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
MAPT P10636 5/20 0.65
ALDH1A1 P00352 4/20 0.65
HTT P42858 3/20 0.65
RAB9A P51151 2/20 0.65
HSD17B10 Q99714 1/20 0.65
POLB P06746 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
PKM P14618 1/20 0.57

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
SCHEMBL839926 0.87 MEN1 (0.69) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL3048962 0.86 GPR174 (0.72) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL12678535 0.86 MEN1 (0.67) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL11111056 0.85 ALDH1A1 (0.80) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL2955123 0.84 HPGD (0.50) CYP1A2MAPTALDH1A1RAB9AL3MBTL1
Phenacetin SCHEMBL18894356 0.83 KMT2A (1.00) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL12891619 0.83 MEN1 (0.49) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL23280 0.83 KMT2A (1.00) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL10802880 0.83 ALDH1A1 (0.77) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL17033976 0.83 ALDH1A1 (0.77) KMT2AMEN1LMNACYP1A2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0113910-B1 ISOCARBOSTYRIL DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-10-11 EP disclosed
US-4526893-A Pharmaceuticals NISSHIN FLOUR MILLING CO., LTD. (JP) 1985-07-02 US disclosed
EP-0113910-A1 Isocarbostyril derivatives, processes for their preparation and pharmaceutical compositions containing them NISSHIN FLOUR MILLING CO., LTD. (JP) 1984-07-25 EP disclosed