SCHEMBL4083393

SCHEMBL4083393

COc1ccc(CN(c2nnc(Cl)c3c(F)cccc23)c2nnc(Cl)c3cccc(F)c23)cc1.COc1ccc(CN)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.33
MARK4 Q96L34 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
SLC5A1 P13866 2/20 0.32
SLC5A2 P31639 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PDE5A O76074 1/20 0.31
LPAR1 Q92633 1/20 0.31
LPAR5 Q9H1C0 1/20 0.31

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
SCHEMBL3762542 0.74 EGFR (0.49)
SCHEMBL3760932 0.74 CASP1 (0.51)
SCHEMBL3760931 0.70 PDE5A (0.54) MEN1KMT2ALMNAALDH1A1PDE5A
SCHEMBL3762539 0.70 PDE5A (0.54) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL31146637 0.68 GOT1 (0.38) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL3762536 0.66 GPR139 (0.36) MAOBMARK4MEN1KMT2ALMNA
SCHEMBL4951818 0.62 MAOB (0.73) MAOBALDH1A1TAAR1
SCHEMBL8755 0.62 MAOB (0.73) MAOBALDH1A1TAAR1
SCHEMBL5508681 0.61 MAOB (0.63) MAOBLMNATAAR1
SCHEMBL29838709 0.60 QPCT (0.39) KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 WO disclosed