SCHEMBL2594549

SCHEMBL2594549

CCCSc1ccc2nccc(O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 3/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
AR P10275 2/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTR1A P08908 2/20 0.32
ADRA1D P25100 1/20 0.32

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
SCHEMBL2588801 0.79 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2LMNATP53HPGD
SCHEMBL2594547 0.75 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2LMNAARHTR1A
SCHEMBL10657341 0.72 TRPA1 (0.47) SMN1; SMN2MEN1LMNATP53HPGD
SCHEMBL3691354 0.70 ALDH1A1 (0.48) SMN1; SMN2CYP1A2MEN1LMNATP53
SCHEMBL5539379 0.70 HTR1A (0.54) MEN1LMNATP53MAPK1KMT2A
SCHEMBL1332713 0.69 PARP1 (0.47) MEN1LMNAHPGDMAPK1KMT2A
SCHEMBL30819181 0.69 PARP1 (0.47) MEN1LMNAHPGDMAPK1KMT2A
SCHEMBL27469327 0.69 SLC22A12 (0.39) SMN1; SMN2CYP1A2LMNAHTR1AADRA1D
SCHEMBL9360680 0.68 CA12 (0.44) SMN1; SMN2CYP1A2MEN1LMNATP53
SCHEMBL2595670 0.68 RIPK2 (0.42) SMN1; SMN2CYP1A2MEN1LMNAMAPK1

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-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed