SCHEMBL29670548

SCHEMBL29670548

COc1ccc(Cn2c(-c3ccc(Br)cc3)nn(C)c2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
GFER P55789 1/20 0.52
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CNR2 P34972 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALOX15 P16050 1/20 0.47
PDE1B Q01064 1/20 0.46
P2RX4 Q99571 1/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
AVPR2 P30518 1/20 0.45
AVPR1A P37288 1/20 0.45

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
SCHEMBL24484069 0.81 MAPT (0.45) GAAGFERMAPTMEN1TSHR
SCHEMBL24484076 0.77 GAA (0.54) GAAGFERMAPTMEN1KMT2A
SCHEMBL24484087 0.77 SNCA (0.46) GAAGFERMAPTMEN1KMT2A
SCHEMBL4499194 0.73 AVPR2 (0.55) GAAGFERMAPTMEN1TSHR
SCHEMBL18808535 0.73 AVPR2 (0.55) GAAGFERMAPTMEN1KMT2A
SCHEMBL3587206 0.73 KDM4E (0.43) GAAGFERMAPTMEN1KMT2A
SCHEMBL24484650 0.72 GAA (0.47) GAAGFERMAPTMEN1KMT2A
SCHEMBL23297307 0.72 MAPT (0.71) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL23297266 0.72 MAPT (0.71) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL16037273 0.72 MAPT (0.53) MAPTMEN1TSHRKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed