SCHEMBL3409991

SCHEMBL3409991

CCOC(=O)c1cc(C2CC2)nc(Nc2ccc(-c3nc(C)c[nH]3)c(OC)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 2/20 0.39
THRB P10828 1/20 0.39
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
PDPK1 O15530 1/20 0.37
DHODH Q02127 3/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RCE1 Q9Y256 1/20 0.35
PDE7A Q13946 2/20 0.35
BRD4 O60885 1/20 0.34
PAK1 Q13153 1/20 0.34
BRAF P15056 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
SCHEMBL3410480 0.89 MEN1 (0.48) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3406529 0.86 MEN1 (0.41) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3409867 0.85 MEN1 (0.41) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3412371 0.84 MEN1 (0.40) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3412246 0.83 SYK (0.42) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3412729 0.83 SYK (0.40) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3409683 0.82 KMT2A (0.40) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3409713 0.81 TGFBR1 (0.36) RAB9ANPC1PDE7AIMPDH2
SCHEMBL3410261 0.81 SYK (0.37) KMT2AMEN1RAB9ATHRBMAPT
SCHEMBL3410156 0.81 P2RX3 (0.38) KMT2AMEN1RAB9ATHRBMAPT

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