SCHEMBL16685646

SCHEMBL16685646

COc1ccc(COc2ncc(Cl)nc2Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
APP P05067 5/20 0.45
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
MAOB P27338 1/20 0.44
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE2A O00408 1/20 0.41

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
SCHEMBL13412435 0.80 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1LMNAAPPCNR1
SCHEMBL30763075 0.78 HRH4 (0.45) SMN1; SMN2ALDH1A1LMNAAPPCNR1
SCHEMBL1993092 0.76 PDE2A (0.47) SMN1; SMN2ALDH1A1LMNAAPPCNR1
SCHEMBL20980464 0.75 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAAPPCNR1
SCHEMBL9987222 0.75 CNR1 (0.44) SMN1; SMN2ALDH1A1LMNAAPPCNR1
SCHEMBL15595369 0.74 APP (0.54) SMN1; SMN2ALDH1A1LMNAAPPMAOB
SCHEMBL1259197 0.74 NPC1 (0.55) SMN1; SMN2ALDH1A1APPMAOBNPC1
SCHEMBL23093183 0.74 CCR4 (0.40) ALDH1A1
SCHEMBL24316810 0.74 CSF1R (0.52) ALDH1A1LMNAAPPCNR1CNR2
SCHEMBL31381827 0.74 CNR2 (0.46) SMN1; SMN2ALDH1A1LMNAAPPCNR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 WO disclosed