SCHEMBL363045

SCHEMBL363045

CC(=O)[C@](c1ccc(Br)cc1)(c1ccnc(CO)c1)c1ccc(Cl)cc1C

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
PROKR1 Q8TCW9 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KDM6B O15054 1/20 0.30
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
KDM2B Q8NHM5 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30
KDM2A Q9Y2K7 1/20 0.30
KDM3A Q9Y4C1 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
SCHEMBL363838 0.88
SCHEMBL362712 0.87 SORT1 (0.34) PROKR1KDM4EKDM6BKDM4AKDM4B
SCHEMBL363084 0.87 SORT1 (0.34) PROKR1KDM4EKDM6BKDM4AKDM4B
SCHEMBL364587 0.87 SORT1 (0.34) PROKR1KDM4EKDM6BKDM4AKDM4B
SCHEMBL364634 0.77 PROKR1 (0.35) PROKR1KDM4EKDM6BKDM4AKDM4B
SCHEMBL363181 0.77 HDAC3 (0.38) PROKR1
SCHEMBL363784 0.76
SCHEMBL365757 0.76 CDC7 (0.35) PROKR1F2PRSS1KDM4EKDM6B
SCHEMBL364004 0.75 MAPT (0.41)
SCHEMBL363413 0.74 POLB (0.30)

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
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed