SCHEMBL28664704

SCHEMBL28664704

NCc1cccc(-c2ccc(NC(=O)Nc3sccc3C(N)=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 13/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
MAPK10 P53779 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL30556627 1.00 MAPK8 (0.50) MAPK8NPC1RAB9AALDH1A1MAPT
SCHEMBL28676789 0.85 PTK2 (0.47) MAPK8MAPK10
SCHEMBL29064716 0.83 MAPK8 (0.53) MAPK8NPC1RAB9AMAPK10
SCHEMBL30556630 0.80 MAPK8 (0.49) MAPK8NPC1RAB9AMAPK10
SCHEMBL28660995 0.80 PTK2 (0.54) MAPK8NPC1RAB9AALDH1A1MAPT
SCHEMBL28681050 0.79 MAPK8 (0.50) MAPK8NPC1RAB9AALDH1A1MAPT
SCHEMBL28667190 0.77 PTK2 (0.51) MAPK8MAPK10KMT2A
SCHEMBL28665656 0.77 MAPK8 (0.58) MAPK8MAPK10
SCHEMBL28660998 0.75 PTK2 (0.49) MAPK8NPC1RAB9AALDH1A1MAPT
SCHEMBL28930491 0.74 MAPK8 (0.50) MAPK8NPC1RAB9AALDH1A1MAPT

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-113717148-A Heteroaromatic amide compound, preparation method and application thereof 上海医药工业研究院 2021-11-30 CN disclosed