SCHEMBL14724684

SCHEMBL14724684

Cc1ccc(C(=O)Nc2cccc(OCCCN3CCCCC3)c2)cc1C

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.59
MET P08581 7/20 0.57
KDM4E B2RXH2 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
THRB P10828 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KMT2A Q03164 2/20 0.54
ESR1 P03372 2/20 0.52
MEN1 O00255 1/20 0.52

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
SCHEMBL13202487 0.91 EPHX2 (0.56) EPHX2METKDM4EL3MBTL1THRB
SCHEMBL5494307 0.80 LCK (0.61)
SCHEMBL13202486 0.80 HRH3 (0.58) KDM4E
SCHEMBL4501680 0.79 HRH3 (0.56) EPHX2MET
SCHEMBL5689390 0.78 MET (0.50) EPHX2METKDM4EL3MBTL1ALDH1A1
SCHEMBL21296732 0.76 TLR9 (0.57) EPHX2METESR1
SCHEMBL25059606 0.76 KDM4E (0.67) KDM4EL3MBTL1
SCHEMBL20303825 0.75 KDM4E (0.63) METKDM4EL3MBTL1ALDH1A1KMT2A
SCHEMBL2089343 0.74 KDM4E (0.68) KDM4EL3MBTL1ALDH1A1KMT2AESR1
SCHEMBL19321863 0.74 CYP2D6 (0.67) KDM4EL3MBTL1ALDH1A1KMT2AMEN1

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
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 EP disclosed