SCHEMBL17326661

SCHEMBL17326661

COc1ccc(NC(C)=O)cc1Oc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.60
▸ MEN1 O00255 6/20 0.60
▸ HTT P42858 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.58
▸ MAPT P10636 2/20 0.58
▸ HPGD P15428 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ MAPK1 P28482 1/20 0.54
▸ SCN2A Q99250 1/20 0.53
▸ BRD4 O60885 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48

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 0.84 HPGD (0.68) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL17326281 0.75 MEN1 (0.53) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL17326498 0.75 POLB (0.67) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL17326506 0.74 MAPK1 (0.75) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL14384694 0.74 TTR (0.60) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL10013240 0.74 ALDH1A1 (0.65) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL261725 0.74 BRD4 (0.68) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL17326730 0.73 HPGD (0.62) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL17326722 0.71 CYP2C9 (0.60) KMT2AMEN1ALDH1A1HPGDPOLB
SCHEMBL30492996 0.71 SMN1; SMN2 (0.68) KMT2AMEN1HTTALDH1A1MAPT

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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