SCHEMBL2589232

SCHEMBL2589232

CCCC[C@]1(CC)CSc2cc(C=O)c(OC)cc2C(c2ccccc2)=N1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 3/20 0.33
FGFR1 P11362 1/20 0.31
ALDH1A1 P00352 2/20 0.30
NPSR1 Q6W5P4 1/20 0.30
GPR55 Q9Y2T6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7472192 0.89 SLC10A2 (0.33) SLC10A2ALDH1A1KDM4E
SCHEMBL7470085 0.89 SLC10A2 (0.33) SLC10A2ALDH1A1KDM4E
SCHEMBL19170232 0.84 CDK4 (0.32) SLC10A2
SCHEMBL2589094 0.83 MAOA (0.37) NPSR1KDM4E
SCHEMBL2585237 0.82 MAPK1 (0.32) MAPT
SCHEMBL17506155 0.81 DRD2 (0.32) SLC10A2
SCHEMBL17506154 0.81 DRD2 (0.32) SLC10A2
SCHEMBL7469254 0.81 EGFR (0.40) SLC10A2KDM4EMEN1MAPTKMT2A
SCHEMBL7463854 0.81 EGFR (0.40) SLC10A2KDM4EMEN1MAPTKMT2A
SCHEMBL2589896 0.80 MAPK1 (0.35) SLC10A2FGFR1ALDH1A1KDM4E

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-2563122-A1 CHEMICAL COMPOUNDS Glaxosmithkline LLC (US) 2013-03-06 EP disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 WO disclosed