SCHEMBL363070

SCHEMBL363070

CC(=O)[C@](c1ccc(C2CCN(S(C)(=O)=O)CC2)cc1)(c1ccnc(C)c1)c1ccc(Cl)cc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
TLR8 Q9NR97 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
PROKR1 Q8TCW9 3/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MCHR1 Q99705 1/20 0.37
TP53 P04637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PRCP P42785 2/20 0.35
IDO1 P14902 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
IKBKB O14920 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL362904 0.91 TLR8 (0.39) ALDH1A1TLR8TLR7PROKR1POLB
SCHEMBL364421 0.85 PROKR1 (0.38) TLR8TLR7PROKR1IDO1
SCHEMBL364904 0.81 TLR8 (0.38) ALDH1A1TLR8TLR7PROKR1POLB
SCHEMBL363457 0.80 CCR9 (0.38) PROKR1
SCHEMBL362157 0.79 PROKR1 (0.34) TLR8TLR7PROKR1
SCHEMBL362899 0.79 TLR8 (0.40) TLR8TLR7PROKR1TP53KMT2A
SCHEMBL364634 0.78 PROKR1 (0.35) PROKR1POLBSMN1; SMN2IDO1L3MBTL1
SCHEMBL362712 0.77 SORT1 (0.34) ALDH1A1PROKR1IDO1L3MBTL1
SCHEMBL364587 0.77 SORT1 (0.34) ALDH1A1PROKR1IDO1L3MBTL1
SCHEMBL363084 0.77 SORT1 (0.34) ALDH1A1PROKR1IDO1L3MBTL1

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