SCHEMBL8568245

SCHEMBL8568245

COC(=O)C1(C(=O)OC)CNc2ccccc2C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.56
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX2 P34913 1/20 0.39
IDH1 O75874 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
MAPT P10636 4/20 0.37
MAPK1 P28482 1/20 0.36
BACE1 P56817 1/20 0.35
HTT P42858 2/20 0.34
HSD17B3 P37058 1/20 0.34
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
CREBBP Q92793 1/20 0.33

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
SCHEMBL12203632 0.81 MEN1 (0.44) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL7445797 0.76 MEN1 (0.45) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL17158260 0.76 BRD4 (0.54) BRD4KDM4EPOLBALDH1A1HPGD
SCHEMBL17158281 0.75 BRD4 (0.44) BRD4KDM4EPOLBALDH1A1HPGD
SCHEMBL10876485 0.75 MEN1 (0.40) KDM4EPOLBALDH1A1HPGDHSD17B10
SCHEMBL17158279 0.74 BRD4 (0.46) BRD4KDM4EPOLBALDH1A1HPGD
SCHEMBL17075024 0.73 KDM4E (0.42) BRD4KDM4EPOLBALDH1A1HPGD
SCHEMBL17158241 0.73 BRD4 (0.42) BRD4KDM4EPOLBALDH1A1HPGD
SCHEMBL17158201 0.73 BRD4 (0.48) BRD4KDM4EPOLBALDH1A1HPGD
SCHEMBL32683822 0.71 EPHX2 (0.39) POLBMEN1KMT2AEPHX2MAPT

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-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed