SCHEMBL17210366

SCHEMBL17210366

C=C1c2[nH]cnc2N(C)C(=O)N1C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
ATAD2 Q6PL18 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PIK3CD O00329 1/20 0.31
ALPL P05186 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
TMIGD3 P0DMS9 1/20 0.31
PDE4A P27815 1/20 0.31
ADORA1 P30542 1/20 0.31
CYP2C19 P33261 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HIF1A Q16665 1/20 0.31
BRD4 O60885 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
SCHEMBL2142794 0.69 MEN1 (0.34) MEN1BLMKMT2AATAD2ADORA2A
SCHEMBL8595170 0.68 ADORA2A (0.34) MEN1BLMKMT2AATAD2ADORA2A
SCHEMBL9881673 0.66 BRPF1 (0.37) MEN1BLMKMT2AATAD2ALDH1A1
SCHEMBL10039865 0.66 PIK3CD (0.30) ADORA2AADORA2BPIK3CDADORA3ADORA1
SCHEMBL31685332 0.62 MEN1 (0.34) MEN1BLMKMT2AATAD2ADORA2A
SCHEMBL4434457 0.62 MEN1 (0.38) MEN1BLMKMT2AATAD2ADORA2A
SCHEMBL9018625 0.62 ALDH1A1 (0.32) MEN1BLMKMT2AATAD2ALDH1A1
SCHEMBL6674432 0.61 GDA (0.38) MEN1BLMKMT2AATAD2ADORA2A
SCHEMBL31685548 0.60 MEN1 (0.36) MEN1BLMKMT2AATAD2ADORA2A
SCHEMBL10095225 0.60 ADRA2C (0.30) MEN1KMT2A

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-2015164643-A1 INHIBITING THE TRANSIENT RECEPTOR POTENTIAL A1 ION CHANNEL HYDRA BIOSCIENCES, INC. (US) 2015-10-29 WO disclosed