SCHEMBL6472018

SCHEMBL6472018

COc1ccc2c(c1)-c1ccccc1NC=C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.46
GPR3 P46089 1/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NOX1 Q9Y5S8 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37

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
SCHEMBL28157946 0.76 PTPRC (0.38) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL28158295 0.76 CHEK1 (0.38) GAAGPR3MAPTKMT2ASMN1; SMN2
SCHEMBL29353131 0.75 MAPT (0.41) GAAMAPTKMT2AMEN1LMNA
SCHEMBL156862 0.75 MAPT (0.41) GAAMAPTKMT2AMEN1LMNA
SCHEMBL8162709 0.74 CYP1A2 (0.47) GAAGPR3MAPTKMT2ASMN1; SMN2
SCHEMBL27692616 0.71 CA1 (0.48) GAAMAPTKMT2ASMN1; SMN2MEN1
SCHEMBL25138231 0.68 NOX1 (0.56) GAAGPR3MAPTKMT2ASMN1; SMN2
Piperazine SCHEMBL20876223 0.68 MAPT (0.34) GAAMAPTKMT2AMEN1LMNA
SCHEMBL10395049 0.68 HDAC4 (0.41) GAAGPR3MAPTKMT2ASMN1; SMN2
SCHEMBL31669020 0.67 GPR3 (0.59) GPR3MAPTKMT2ASMN1; SMN2MEN1

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-1513816-A2 METHOD OF PREPARING A 5H-DIBENZ(B,F)AZEPINE-5-CARBOXAMIDE TARO PHARMACEUTICALS U.S.A., INC. (US) 2005-03-16 EP disclosed
WO-2003106414-A2 METHOD OF PREPARING A 5H-DIBENZ[B,F]AZEPINE-5-CARBOXAMIDE TARO PHARMACEUTICALS U.S.A., INC. (US) 2003-12-24 WO disclosed