SCHEMBL4032372

SCHEMBL4032372

CCn1nnnc1CCN.CCn1nnnc1CCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
GFER P55789 1/20 0.46
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.39
FAAH O00519 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
BCHE P06276 1/20 0.34

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
SCHEMBL1783770 0.94 ALDH1A1 (0.50) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL1785691 0.83 ALDH1A1 (0.50) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL18605357 0.81 ALDH1A1 (0.48) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL1303701 0.81 ALDH1A1 (0.55) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL7341365 0.78 NAALAD2 (0.50) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL3719209 0.76 ALDH1A1 (0.44) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL4033007 0.76 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2ATSHR
SCHEMBL13189191 0.75 ALDH1A1 (0.49) ALDH1A1GFERHTTNPSR1FAAH
SCHEMBL18605947 0.73 MAPK1 (0.42) ALDH1A1GFERHTTFAAHTDP1
SCHEMBL18839737 0.71 ALDH1A1 (0.41) ALDH1A1GFERTDP1LMNAMEN1

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-1689391-B1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-22 EP disclosed
EP-1689391-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005021519-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2005-03-10 WO disclosed