SCHEMBL28648154

SCHEMBL28648154

O=C1C=CC(=O)N1C1Cc2ccccc2N1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.44
MGLL Q99685 1/20 0.40
HPGD P15428 1/20 0.40
SLC6A2 P23975 2/20 0.38
AADAT Q8N5Z0 2/20 0.37
GOT1 P17174 1/20 0.37
KYAT1 Q16773 1/20 0.37
KYAT3 Q6YP21 1/20 0.37
TLR9 Q9NR96 1/20 0.37
GAA P10253 2/20 0.37
GFER P55789 1/20 0.37
MTNR1A P48039 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL18707381 0.84 NOTUM (0.42) NOTUMHPGDSLC6A2AADATGOT1
SCHEMBL19954697 0.84 NOTUM (0.42) NOTUMHPGDSLC6A2AADATGOT1
SCHEMBL12609751 0.77 NOTUM (0.37) NOTUMHPGDSLC6A2MTNR1A
SCHEMBL17831021 0.74 ROCK1 (0.37) NOTUMHPGDGFERPOLB
SCHEMBL17751472 0.73 ROCK1 (0.39) NOTUMHPGDPOLB
SCHEMBL19954699 0.73 ROCK1 (0.39) NOTUMHPGDPOLB
SCHEMBL25879868 0.73 LMNA (0.35) NOTUMSLC6A2AADATMTNR1A
SCHEMBL19230066 0.72 NOTUM (0.36) NOTUMHPGDGAAGFERMTNR1A
SCHEMBL10757060 0.71 XIAP (0.44) MTNR1A
SCHEMBL17751487 0.71 LMNA (0.38) NOTUMHPGDPOLB

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-113563307-B Method for synthesizing alpha-cyclic amine maleimide hybrid 河南师范大学 2022-05-17 CN claimed
CN-113563307-A Method for synthesizing alpha-cyclic amine maleimide hybrid 河南师范大学 2021-10-29 CN claimed