SCHEMBL29201430

SCHEMBL29201430

CCCCn1nnc2ccccc2c1=O

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.82
KMT2A Q03164 3/20 0.68
MEN1 O00255 2/20 0.68
SLC9A1 P19634 4/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
PKM P14618 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL12247551 0.85 ALDH1A1 (0.78) ALDH1A1KMT2AMEN1SLC9A1NPC1
SCHEMBL4872274 0.84 KMT2A (0.68) ALDH1A1KMT2AMEN1SLC9A1NPC1
SCHEMBL5816179 0.84 KMT2A (0.68) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL17950740 0.84 MEN1 (0.68) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL10919578 0.84 KMT2A (0.82) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL379507 0.81 ALDH1A1 (0.71) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4873292 0.81 KMT2A (1.00) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL874199 0.81 KDM4E (0.70) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL13784021 0.80 KMT2A (0.70) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL764382 0.80 KMT2A (0.62) ALDH1A1KMT2AMEN1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835599-B Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2024-05-03 CN disclosed
CN-114835599-A Preparation method of o-aryl benzamide compound 绍兴久孚新材料科技有限公司 2022-08-02 CN disclosed