SCHEMBL4249506

SCHEMBL4249506

COc1ccc(C[AsH]c2nnnc3ccc(C)cc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
GPR139 Q6DWJ6 1/20 0.36
DHODH Q02127 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CASP1 P29466 1/20 0.35
CASP14 P31944 1/20 0.35
CASP3 P42574 1/20 0.35
CASP2 P42575 1/20 0.35
CASP4 P49662 1/20 0.35
CASP5 P51878 1/20 0.35
CASP7 P55210 1/20 0.35
CASP9 P55211 1/20 0.35
CASP6 P55212 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
SCHEMBL3755746 0.74 MEN1 (0.51) LMNANCOA1NCOA3MEN1KMT2A
SCHEMBL3755750 0.68 CASP1 (0.69) LMNANCOA1NCOA3CASP1CASP14
SCHEMBL3759439 0.67 HTT (0.52) LMNAMEN1KMT2ATP53KDM4E
SCHEMBL3758053 0.60 CASP1 (0.69) SMN1; SMN2KDM4ECASP1CASP14CASP3
SCHEMBL17133490 0.60 ACHE (0.44) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL38660824 0.60 LMNA (0.52) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3409810 0.59 ACHE (0.71) LMNATP53KDM4EALDH1A1L3MBTL1
SCHEMBL13038170 0.59 ACHE (0.71) LMNAL3MBTL1MAPTACHE
SCHEMBL11195737 0.59 KDM4E (0.52) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL12374454 0.59 ACHE (0.62) ALDH1A1L3MBTL1MAPTACHE

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