SCHEMBL7478479

SCHEMBL7478479

COc1cc2c(cc1OC(=O)N(C)C)CN(Nc1ccncc1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PDE4B Q07343 1/20 0.43
HCRTR2 O43614 1/20 0.41
THRB P10828 1/20 0.40
KDM4E B2RXH2 2/20 0.39
BCHE P06276 2/20 0.39
MAOA P21397 2/20 0.39
ACHE P22303 2/20 0.39
MAOB P27338 2/20 0.39
ALDH1A1 P00352 2/20 0.38
NPSR1 Q6W5P4 1/20 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
Hydrochloric Acid SCHEMBL7475937 0.99 MEN1 (0.47) MEN1KMT2APDE4BHCRTR2THRB
SCHEMBL7477389 0.94 KMT2A (0.53) MEN1KMT2APDE4BHCRTR2THRB
SCHEMBL7475137 0.94 KMT2A (0.53) MEN1KMT2APDE4BHCRTR2THRB
SCHEMBL7479310 0.84 ACHE (0.43) KDM4EBCHEACHENPSR1
Hydrochloric Acid SCHEMBL7479308 0.84 ACHE (0.43) KDM4EBCHEACHE
SCHEMBL7483483 0.83 DRD3 (0.48) MEN1KMT2APDE4BHCRTR2KDM4E
SCHEMBL7484532 0.82 KMT2A (0.42) MEN1KMT2APDE4BHCRTR2THRB
SCHEMBL7487783 0.82 KMT2A (0.53) MEN1KMT2APDE4BHCRTR2THRB
Hydrochloric Acid SCHEMBL7482671 0.82 DRD3 (0.47) MEN1KMT2APDE4BHCRTR2KDM4E
Hydrochloric Acid SCHEMBL7490610 0.81 KMT2A (0.52) MEN1KMT2APDE4BHCRTR2THRB

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-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
EP-0950056-B1 N-(PYRIDINYLAMINO)ISOINDOLINES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed