SCHEMBL362574

SCHEMBL362574

CC(=NO)C(c1ccc(N2CCN(S(C)(=O)=O)CC2)cc1)(c1ccnc(C)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
RORC P51449 1/20 0.39
RAB9A P51151 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GCK P35557 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 5/20 0.36
ALK Q9UM73 2/20 0.36
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34
POLB P06746 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
SCHEMBL363922 0.81 NR1H2 (0.41) SYKRORC
SCHEMBL363668 0.81 RORC (0.40) SYKRORCRAB9AMAPTMEN1
SCHEMBL364311 0.78 POLB (0.31) POLB
SCHEMBL362899 0.78 TLR8 (0.40) SYKMEN1KMT2AGPBAR1
SCHEMBL362833 0.77 PSEN1 (0.38) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL365064 0.77 PSEN1 (0.38) RAB9AMAPTNPC1SMN1; SMN2HTT
SCHEMBL364963 0.76 GPBAR1 (0.32) GPBAR1
SCHEMBL362313 0.74 ITGB2 (0.33) RORC
SCHEMBL361659 0.73 MAPT (0.40) RORCRAB9AMAPTMEN1NPC1
SCHEMBL363246 0.73 NR1H2 (0.33) SYKGPBAR1

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