SCHEMBL29786281

SCHEMBL29786281

COc1ccc(-c2nccn2C(=O)NCCc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 1/20 0.42
FYN P06241 1/20 0.41
ACACB O00763 1/20 0.41
ASAH1 Q13510 1/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
IDO1 P14902 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
PABPC1 P11940 1/20 0.39
MAPT P10636 2/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL29786337 0.87 HIF1A (0.46) HIF1AMEN1KMT2ANPC1ASAH1
SCHEMBL29786331 0.84 HIF1A (0.46) HIF1AMEN1KMT2ANPC1ASAH1
SCHEMBL29786257 0.81 HPGD (0.44) HIF1AMEN1KMT2ANPC1ASAH1
SCHEMBL24810745 0.81 ASAH1 (0.49) NPC1ASAH1SMN1; SMN2TAAR1RAB9A
SCHEMBL29786260 0.79 MCHR1 (0.45) HIF1AMEN1KMT2ALMNAASAH1
SCHEMBL24811055 0.78 HIF1A (0.44) HIF1AMEN1KMT2ALMNANPC1
SCHEMBL29786381 0.75 ASAH1 (0.39) HIF1AMEN1KMT2ANPC1ASAH1
SCHEMBL24809464 0.74 ASAH1 (0.56) ASAH1
SCHEMBL24810685 0.74 ASAH1 (0.58) ASAH1
SCHEMBL29003728 0.73 RAB9A (0.47) NPC1ASAH1SMN1; SMN2RAB9ARXFP1

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