SCHEMBL29786337

SCHEMBL29786337

Cc1ccc(-c2nccn2C(=O)NCCc2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.46
GAA P10253 2/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
BCHE P06276 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL29786331 0.88 HIF1A (0.46) HIF1AGAARAB9ASMN1; SMN2MEN1
SCHEMBL29786281 0.87 HIF1A (0.43) HIF1AGAARAB9ASMN1; SMN2MEN1
SCHEMBL29786257 0.85 HPGD (0.44) HIF1AGAARAB9ASMN1; SMN2MEN1
SCHEMBL29786260 0.82 MCHR1 (0.45) HIF1ARAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL29786381 0.78 ASAH1 (0.39) HIF1AGAARAB9ASMN1; SMN2MEN1
SCHEMBL24809408 0.77 HIF1A (0.46) HIF1AGAARAB9ASMN1; SMN2MEN1
SCHEMBL24810745 0.77 ASAH1 (0.49) GAARAB9ASMN1; SMN2NPC1MAPT
SCHEMBL29003728 0.76 RAB9A (0.47) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL30194504 0.73 ASAH1 (0.60) SMN1; SMN2ASAH1
SCHEMBL29786310 0.72 ASAH1 (0.41) HIF1ARAB9ANPC1KDM4EMAPT

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