SCHEMBL371034

SCHEMBL371034

Cc1ccc([C@](C/C=N/O)(c2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c2ccnc(C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 3/20 0.43
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 3/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.36
CYP17A1 P05093 3/20 0.36
CYP21A2 P08686 3/20 0.36
CYP11B1 P15538 3/20 0.36
CHEK1 O14757 1/20 0.36

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
SCHEMBL361659 0.89 MAPT (0.40) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL363668 0.87 RORC (0.40) MEN1KMT2AMAPTHSD11B1RAB9A
SCHEMBL364225 0.76 TLR8 (0.39) MEN1KMT2A
SCHEMBL363169 0.74 CTSA (0.35) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL364479 0.74 CTSA (0.35) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL364904 0.74 TLR8 (0.38) ALDH1A1SMN1; SMN2POLB
SCHEMBL364312 0.73 SMO (0.33)
SCHEMBL363146 0.73 UHRF1 (0.33) MEN1KMT2A
SCHEMBL362574 0.71 SYK (0.40) MEN1KMT2AMAPTHSD11B1KDM4E
SCHEMBL82680 0.69 MEN1 (0.69) MEN1KMT2AMAPTHSD11B1KDM4E

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