SCHEMBL24037986

SCHEMBL24037986

Cc1cc(C#N)c2cc(C)[nH]c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
DHODH Q02127 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.35
ALDH1A1 P00352 5/20 0.34
GAA P10253 5/20 0.34
KDM4E B2RXH2 5/20 0.34
RXFP1 Q9HBX9 3/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
NQO2 P16083 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
HPGD P15428 4/20 0.33
GALR3 O60755 1/20 0.33
LMNA P02545 2/20 0.33
KIF11 P52732 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL26278104 0.81 KEAP1 (0.38) MAOAMAOBDHODHHAVCR2ALDH1A1
SCHEMBL23148027 0.76 GRIN1 (0.44) ALDH1A1GAAKDM4EHPGDLMNA
SCHEMBL30265966 0.76 GAA (0.46) MAOAMAOBALDH1A1GAAKDM4E
SCHEMBL5729594 0.76 GAA (0.46) MAOAMAOBALDH1A1GAAKDM4E
SCHEMBL19624741 0.75 NPC1 (0.38) MAOAMAOBGAAKDM4ENPC1
SCHEMBL29104141 0.74 PRKCQ (0.44) MAOAMAOBHAVCR2KDM4EPDE3B
SCHEMBL3267277 0.73 RXFP1 (0.44) ALDH1A1GAAKDM4ERXFP1MAPT
SCHEMBL1484857 0.72 IMPDH2 (0.42) MAOAMAOBDHODHPRKCQPRKCD
SCHEMBL23147759 0.71 KDM4E (0.50) ALDH1A1GAAKDM4ERXFP1MAPT
SCHEMBL29813016 0.71 KDM4E (0.50) ALDH1A1GAAKDM4ERXFP1MAPT

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-2021229302-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-11-18 WO disclosed