SCHEMBL27840487

SCHEMBL27840487

COc1ccc(CN2CCN(CC(=O)Nc3nc(-c4ccccc4)cs3)CC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.73
HTT P42858 2/20 0.73
POLB P06746 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
APP P05067 1/20 0.70
KDR P35968 3/20 0.69
MMP2 P08253 2/20 0.66
MMP8 P22894 2/20 0.66
NPC1 O15118 1/20 0.66
LMNA P02545 3/20 0.62
ACHE P22303 1/20 0.60
MAPT P10636 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
ADORA3 P0DMS8 1/20 0.59
USP2 O75604 1/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 1/20 0.58
ROCK1 Q13464 1/20 0.58
ALK Q9UM73 1/20 0.58

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
SCHEMBL27821015 0.91 MMP2 (0.82) MAPK1HTTPOLBSMN1; SMN2APP
SCHEMBL24993421 0.90 MMP2 (0.80) MAPK1HTTPOLBSMN1; SMN2KDR
SCHEMBL15401066 0.89 KDR (0.74) MAPK1HTTPOLBSMN1; SMN2APP
SCHEMBL30989359 0.83 MMP2 (0.66) MAPK1HTTPOLBSMN1; SMN2KDR
SCHEMBL30173490 0.81 MMP2 (0.78) HTTSMN1; SMN2MMP2MMP8NPC1
SCHEMBL27235580 0.81 MMP2 (0.78) HTTSMN1; SMN2MMP2MMP8NPC1
SCHEMBL15401374 0.80 MMP2 (1.00) HTTSMN1; SMN2MMP2MMP8NPC1
SCHEMBL16458931 0.79 MMP2 (0.86) MAPK1HTTPOLBSMN1; SMN2KDR
SCHEMBL15403403 0.79 ACHE (0.74) MAPK1HTTPOLBSMN1; SMN2APP
Hydrochloric Acid SCHEMBL31496761 0.79 MMP2 (0.98) HTTSMN1; SMN2MMP2MMP8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102166214-B Medical application of aminothiazole MyD88 specific inhibitor AFFILIATED TONGJI HOSPITAL OF TONGJI MEDICAL COLLEGE OF HUAZHONG UNIV SCI & TECH 2012-12-12 CN claimed
CN-102166214-A Medical application of aminothiazole MyD88 specific inhibitor AFFILIATED TONGJI HOSPITAL OF TONGJI MEDICAL COLLEGE OF HUAZHONG UNIV SCI & TECH 2011-08-31 CN claimed
CN-102166214-B Medical application of aminothiazole MyD88 specific inhibitor AFFILIATED TONGJI HOSPITAL OF TONGJI MEDICAL COLLEGE OF HUAZHONG UNIV SCI & TECH 2012-12-12 CN disclosed
CN-102166214-A Medical application of aminothiazole MyD88 specific inhibitor AFFILIATED TONGJI HOSPITAL OF TONGJI MEDICAL COLLEGE OF HUAZHONG UNIV SCI & TECH 2011-08-31 CN disclosed