SCHEMBL3408338

SCHEMBL3408338

CCc1cc(CC)nc(Nc2ccc(-c3nc(C)c[nH]3)c(OC)c2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
IMPDH2 P12268 9/20 0.39
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
GAA P10253 1/20 0.36
TERT O14746 1/20 0.35
PLK1 P53350 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
EHMT2 Q96KQ7 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
SCHEMBL3410112 0.91 PSEN1 (0.36) NPC1RAB9AIMPDH2KCNH2MAPT
SCHEMBL3409536 0.89 RET (0.40) PLK1
SCHEMBL3406529 0.87 MEN1 (0.41) NPC1RAB9AIMPDH2MAPTMEN1
SCHEMBL3410260 0.87 NPC1 (0.53) NPC1RAB9AIMPDH2KCNH2MAPT
SCHEMBL3410316 0.85 IMPDH2 (0.44) NPC1RAB9AIMPDH2KCNH2MAPT
SCHEMBL3406232 0.84 NPC1 (0.41) NPC1RAB9AIMPDH2KCNH2DOT1L
SCHEMBL3406068 0.83 NPC1 (0.46) NPC1RAB9AIMPDH2KCNH2MAPT
SCHEMBL3410702 0.83 USP2 (0.45) NPC1RAB9AIMPDH2KCNH2MAPT
SCHEMBL3408093 0.82 PSEN1 (0.44) NPC1RAB9AIMPDH2KCNH2MAPT
SCHEMBL3406662 0.82 NPC1 (0.40) NPC1RAB9AIMPDH2KCNH2MAPT

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 4 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 claimed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 WO claimed
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