SCHEMBL364587

SCHEMBL364587

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 3/20 0.34
PROKR1 Q8TCW9 2/20 0.34
SMARCA2 P51531 1/20 0.34
SMARCA4 P51532 1/20 0.34
KCNH2 Q12809 1/20 0.34
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CCR9 P51686 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM5B Q9UGL1 2/20 0.31
IDH1 O75874 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IDO1 P14902 1/20 0.30
MAPK1 P28482 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL363084 1.00 SORT1 (0.34) SORT1PROKR1SMARCA2SMARCA4KCNH2
SCHEMBL362712 1.00 SORT1 (0.34) SORT1PROKR1SMARCA2SMARCA4KCNH2
SCHEMBL364634 0.90 PROKR1 (0.35) SORT1PROKR1SMARCA2SMARCA4KCNH2
SCHEMBL363181 0.89 HDAC3 (0.38) SORT1PROKR1SMARCA2SMARCA4KCNH2
SCHEMBL365757 0.88 CDC7 (0.35) SORT1PROKR1SMARCA2SMARCA4CCR9
SCHEMBL363045 0.87 SHMT1 (0.32) PROKR1KDM4CKDM5BKDM4EKDM6B
SCHEMBL362836 0.87 POLB (0.30)
SCHEMBL363413 0.87 POLB (0.30)
SCHEMBL363100 0.87 POLB (0.30)
SCHEMBL363457 0.86 CCR9 (0.38) PROKR1CCR9

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