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) —
SCHEMBL363100 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
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