SCHEMBL3406529

SCHEMBL3406529

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
RAB9A P51151 2/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 6/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
PDPK1 O15530 1/20 0.39
IMPDH2 P12268 1/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD4 O60885 1/20 0.34
HPGD P15428 2/20 0.34
PAK1 Q13153 1/20 0.34
RXFP1 Q9HBX9 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 0.92 MEN1 (0.48) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3410156 0.89 P2RX3 (0.38) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3409867 0.88 MEN1 (0.41) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3412371 0.88 MEN1 (0.40) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3408338 0.87 NPC1 (0.40) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL3412246 0.86 SYK (0.42) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3409991 0.86 KMT2A (0.39) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3412729 0.84 SYK (0.40) MEN1KMT2ARAB9ATHRBMAPT
SCHEMBL3408803 0.84 MEN1 (0.46) MEN1KMT2ARAB9ATHRBSMN1; SMN2
SCHEMBL3409683 0.83 KMT2A (0.40) MEN1KMT2ARAB9ATHRBMAPT

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