SCHEMBL4905560

SCHEMBL4905560

CCn1c(-c2ccc([AsH2])c(C)c2)c(C#N)c2ccc(OC)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK2 Q13002 3/20 0.48
GRIK1 P39086 1/20 0.48
KDM4E B2RXH2 3/20 0.44
MAPK1 P28482 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
PABPC1 P11940 1/20 0.42
CASP3 P42574 1/20 0.42
KMT2A Q03164 1/20 0.42
NCOA1 Q15788 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
DYRK1A Q13627 5/20 0.41
MAOA P21397 4/20 0.38

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
SCHEMBL984914 0.87 GRIK2 (0.48) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095252 0.86 GRIK2 (0.60) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10097238 0.85 GRIK2 (0.56) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10097243 0.83 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10097298 0.83 GRIK2 (0.48) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10097236 0.83 GRIK2 (0.51) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095601 0.82 KDM4E (0.49) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL10095470 0.82 GRIK2 (0.59) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL979587 0.82 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPK1HTT
SCHEMBL12334970 0.82 GRIK2 (0.52) GRIK2GRIK1KDM4EMAPK1HTT

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-1979315-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-15 EP disclosed
WO-2007084435-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed