SCHEMBL29786381

SCHEMBL29786381

CN(C)Cc1cncc(-c2nccn2C(=O)NCCc2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 3/20 0.39
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
MAPT P10636 3/20 0.38
THRB P10828 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDO1 P14902 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 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
SCHEMBL29786260 0.87 MCHR1 (0.45) ASAH1MAPTRXFP1RAB9AALDH1A1
SCHEMBL29817652 0.79 FAAH (0.39) ASAH1DYRK1AWNT1RAB9AALDH1A1
SCHEMBL24809696 0.79 FAAH (0.39) ASAH1DYRK1AWNT1RAB9AALDH1A1
SCHEMBL29786337 0.78 HIF1A (0.46) ASAH1MAPTRXFP1RAB9AALDH1A1
SCHEMBL29786310 0.77 ASAH1 (0.41) ASAH1MAPTRXFP1RAB9AALDH1A1
SCHEMBL29786331 0.75 HIF1A (0.46) ASAH1MAPTRXFP1RAB9AALDH1A1
SCHEMBL29786257 0.75 HPGD (0.44) ASAH1MAPTRXFP1RAB9AALDH1A1
SCHEMBL29786281 0.75 HIF1A (0.43) ASAH1MAPTRXFP1RAB9AALDH1A1
SCHEMBL29003728 0.70 RAB9A (0.47) ASAH1MAPTRXFP1RAB9AALDH1A1
SCHEMBL24810745 0.69 ASAH1 (0.49) ASAH1MAPTRAB9AALDH1A1SMN1; SMN2

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
CN-114787135-A Substituted imidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed