SCHEMBL18090905

SCHEMBL18090905

O=Cc1cc(B(O)O)cc(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.39
KDM4E B2RXH2 1/20 0.39
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TTR P02766 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30

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
SCHEMBL177479 0.79 CES2 (0.42) KDM4ECES2CES1CA1CA2
SCHEMBL1318412 0.78 KDM4E (0.41) ERN1KDM4E
SCHEMBL28703625 0.77 CES2 (0.40) KDM4ECES2CES1CA1CA2
SCHEMBL29825907 0.75 KDM4E (0.48) ERN1KDM4ETTRCA1CA2
SCHEMBL155586 0.75 KDM4E (0.48) ERN1KDM4ETTRCA1CA2
SCHEMBL31559956 0.75 KDM4E (0.48) ERN1KDM4ETTRCA1CA2
SCHEMBL18384417 0.75 KDM4E (0.48) ERN1KDM4ETTRCA1CA2
SCHEMBL152523 0.75 KDM4E (0.48) ERN1KDM4ETTRCA1CA2
SCHEMBL34466630 0.74 ERN1 (0.47) ERN1CA1
SCHEMBL585592 0.73 ERN1 (0.61) ERN1KDM4ECES2CES1CA1

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-2016146651-A1 MACROCYCLIC ACTIVIN-LIKE RECEPTOR KINASE INHIBITORS ONCODESIGN SA (FR) 2016-09-22 WO disclosed