SCHEMBL17326281

SCHEMBL17326281

CC(=O)Nc1cc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ POLB P06746 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ BRD4 O60885 1/20 0.49
▸ CA9 Q16790 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SCN2A Q99250 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CA2 P00918 1/20 0.46
▸ MAPT P10636 1/20 0.45

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
SCHEMBL17326282 0.82 HPGD (0.68) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL261725 0.79 BRD4 (0.68) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL17326661 0.75 KMT2A (0.60) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL13678848 0.75 MEN1 (0.69) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL22310425 0.74 BRD4 (0.61) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL17272758 0.73 BRD4 (0.73) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL17326498 0.73 POLB (0.67) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL25776876 0.73 BRD4 (0.59) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL17326506 0.72 MAPK1 (0.75) MEN1KMT2APOLBMAPK1ALDH1A1
SCHEMBL20081072 0.72 BRD4 (0.60) MEN1KMT2APOLBMAPK1ALDH1A1

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
WO-2015185785-A1 DERIVATIVES OF ISOINDOLIN-1,3-DIONE CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2015-12-10 — — WO disclosed
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