SCHEMBL361659

SCHEMBL361659

Cc1cc([C@@](C/C=N/O)(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c2ccccc2C)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.40
USP2 O75604 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.37
RAB9A P51151 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
SMO Q99835 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP21A2 P08686 1/20 0.35
CYP11B1 P15538 1/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL363668 0.92 RORC (0.40) MAPTUSP2HTTSMN1; SMN2RAB9A
SCHEMBL371034 0.89 MEN1 (0.43) MAPTHTTSMN1; SMN2RAB9AMEN1
SCHEMBL364225 0.87 TLR8 (0.39) MEN1KMT2ARORC
SCHEMBL363169 0.87 CTSA (0.35) MAPTUSP2SMN1; SMN2RAB9AMEN1
SCHEMBL364479 0.87 CTSA (0.35) MAPTUSP2SMN1; SMN2RAB9AMEN1
SCHEMBL364312 0.86 SMO (0.33) SMORORC
SCHEMBL362361 0.80 GPBAR1 (0.31)
SCHEMBL364943 0.80
SCHEMBL363962 0.79
SCHEMBL364581 0.79

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 4 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 claimed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed
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