SCHEMBL3410261

SCHEMBL3410261

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.37
DHODH Q02127 2/20 0.37
TDO2 P48775 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 2/20 0.36
THRB P10828 1/20 0.36
GCGR P47871 1/20 0.36
MAPT P10636 5/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 4/20 0.35
HSP90AA1 P07900 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 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
SCHEMBL3406820 0.91 L3MBTL1 (0.39) SYKDHODHL3MBTL1ALDH1A1MEN1
SCHEMBL3410480 0.85 MEN1 (0.48) ALDH1A1MEN1KMT2ARAB9ATHRB
SCHEMBL3412354 0.84 PTGS2 (0.39) SYKTDO2ALDH1A1MAPTTP53
SCHEMBL3411225 0.84 MTTP (0.41) L3MBTL1ALDH1A1MAPTKDM4EPOLB
SCHEMBL3409867 0.83 MEN1 (0.41) SYKDHODHMEN1KMT2ARAB9A
SCHEMBL3409683 0.83 KMT2A (0.40) ALDH1A1MEN1KMT2ARAB9ATHRB
SCHEMBL3406529 0.83 MEN1 (0.41) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3406436 0.83 PLK1 (0.35) DHODHTDO2ROCK2ROCK1
SCHEMBL3412729 0.83 SYK (0.40) SYKMEN1KMT2ARAB9ATHRB
SCHEMBL3409991 0.81 KMT2A (0.39) DHODHALDH1A1MEN1KMT2ARAB9A

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