SCHEMBL5832941

SCHEMBL5832941

CC(C)C(O)c1cc2ccncc2[nH]1.O=Cc1cc2ccncc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.42
CYP2A6 P11509 3/20 0.40
HRH4 Q9H3N8 1/20 0.37
KDM5A P29375 4/20 0.36
MAPT P10636 1/20 0.33
SNCA P37840 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HASPIN Q8TF76 1/20 0.33
MAP4K1 Q92918 5/20 0.32
MASP2 O00187 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
ERN1 O75460 1/20 0.31

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
SCHEMBL4271962 0.88 DAO (0.47) DAOHRH4KDM5AMAPTSNCA
SCHEMBL4275301 0.82 CYP2A6 (0.56) DAOCYP2A6HRH4KDM5AMAPT
SCHEMBL29423010 0.82 CYP2A6 (0.56) DAOCYP2A6HRH4KDM5AMAPT
SCHEMBL4269626 0.76 DAO (0.50) DAOHRH4KDM5AMAPTSNCA
SCHEMBL29856283 0.73 DAO (0.49) DAOHRH4KDM5AMAPTSNCA
SCHEMBL3357467 0.73 DAO (0.49) DAOHRH4KDM5AMAPTSNCA
SCHEMBL4271774 0.70 DAO (0.44) DAOHRH4MAPTSNCAMASP2
SCHEMBL13656963 0.70 DAO (0.46) DAOHRH4MAPTSNCAMASP2
SCHEMBL1160943 0.70 CYP2A6 (0.56) DAOCYP2A6HRH4MAPTSNCA
SCHEMBL21601819 0.70 DAO (0.49) DAOCYP2A6HRH4KDM5AMAPT

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-1732566-A2 6-AZAINDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2006-12-20 EP disclosed
WO-2005097129-A2 6-AZAINDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-10-20 WO disclosed