SCHEMBL3410702

SCHEMBL3410702

CCOc1cc(C)nc(Nc2ccc(-c3nc(C)c[nH]3)c(OC)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.45
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KCNH2 Q12809 1/20 0.40
DOT1L Q8TEK3 1/20 0.39
EHMT2 Q96KQ7 5/20 0.38
EHMT1 Q9H9B1 5/20 0.38
IMPDH2 P12268 3/20 0.37
THRB P10828 1/20 0.37
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
TERT O14746 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
SCHEMBL3406068 0.90 NPC1 (0.46) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL3406681 0.90 NPC1 (0.41) USP2RAB9ANPC1MEN1KMT2A
SCHEMBL3409838 0.88 MEN1 (0.38) USP2RAB9ANPC1MEN1KMT2A
SCHEMBL3410260 0.88 NPC1 (0.53) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3413227 0.87 HTR6 (0.46) USP2RAB9ANPC1MEN1KMT2A
SCHEMBL3410316 0.86 IMPDH2 (0.44) RAB9ANPC1MAPTKCNH2DOT1L
SCHEMBL3411085 0.85 NPC1 (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL3407960 0.85 KCNH2 (0.38) USP2RAB9ANPC1KCNH2DOT1L
SCHEMBL3407955 0.83 NPC1 (0.51) RAB9ANPC1MEN1KMT2ALMNA
SCHEMBL3408338 0.83 NPC1 (0.40) RAB9ANPC1MEN1KMT2ALMNA

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