SCHEMBL28248952

SCHEMBL28248952

NNc1ccc(C(=O)ON2C(=O)CCC2=S)cn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.38
MAPK1 P28482 2/20 0.35
HCAR3 P49019 4/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30914672 0.91 MAPK1 (0.40) NNMTMAPK1HCAR3KDM4EGAA
SCHEMBL1445644 0.91 MAPK1 (0.40) NNMTMAPK1HCAR3KDM4EGAA
Hydrochloric Acid SCHEMBL30019344 0.90 MAPK1 (0.39) NNMTMAPK1HCAR3KDM4EGAA
Hydrochloric Acid SCHEMBL310253 0.90 MAPK1 (0.39) NNMTMAPK1HCAR3KDM4EGAA
Acetone SCHEMBL1019109 0.87 MAPK1 (0.40) NNMTMAPK1HCAR3KDM4EGAA
Acetone SCHEMBL17732269 0.86 MAPK1 (0.39) NNMTMAPK1HCAR3KDM4EGAA
SCHEMBL1509187 0.79 MAPK1 (0.41) NNMTMAPK1HCAR3KDM4ERAB9A
Hydrochloric Acid SCHEMBL5087052 0.78 MAPK1 (0.40) NNMTMAPK1HCAR3KDM4ERAB9A
SCHEMBL14603527 0.74 HCAR3 (0.38) NNMTMAPK1HCAR3KDM4EGAA
SCHEMBL16938414 0.74 GABRP (0.49) NNMTMAPK1KDM4EGAARAB9A

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-108586621-A Targeting peptides are coupled to the method on recombination lysosomal enzyme 阿米库斯治疗学公司 2018-09-28 CN disclosed