SCHEMBL3406820

SCHEMBL3406820

CCOC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(Nc2ccc(-c3nc(C)c[nH]3)c(F)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DHODH Q02127 3/20 0.38
THRB P10828 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RAB9A P51151 2/20 0.37
SYK P43405 2/20 0.37
MAPT P10636 5/20 0.36
RXFP1 Q9HBX9 2/20 0.36
TP53 P04637 1/20 0.36
KDM4E B2RXH2 4/20 0.36
HSP90AA1 P07900 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDPK1 O15530 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
SCHEMBL3410261 0.91 SYK (0.37) L3MBTL1ALDH1A1DHODHTHRBMEN1
SCHEMBL3411020 0.83 SYK (0.41) L3MBTL1ALDH1A1DHODHSYKMAPT
SCHEMBL3406069 0.81 PTGS2 (0.40) SYKMAPTTP53
SCHEMBL3410240 0.81 RAB9A (0.41) DHODHTHRBMEN1KMT2ARAB9A
SCHEMBL3408041 0.80 PSEN1 (0.43)
SCHEMBL3409955 0.79 CDK2 (0.48) SYK
SCHEMBL3411225 0.74 MTTP (0.41) L3MBTL1ALDH1A1MAPTKDM4EGAA
SCHEMBL4096559 0.74 PSEN1 (0.53)
SCHEMBL3410480 0.74 MEN1 (0.48) ALDH1A1THRBMEN1KMT2ARAB9A
SCHEMBL3408739 0.74 PTGS2 (0.41) SYKMAPTTP53

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-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 EP disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO disclosed