SCHEMBL29638271

SCHEMBL29638271

O=C1Nc2ccc(F)cc2/C1=C/c1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PLK4 O00444 2/20 0.56
KDR P35968 2/20 0.53
LRRK2 Q5S007 1/20 0.51
CCNB2 O95067 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51
MAP1LC3B Q9GZQ8 1/20 0.51
RPS6KA3 P51812 2/20 0.51
PLK1 P53350 1/20 0.50

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
SCHEMBL14674714 0.89 FLT3 (0.61) FLT3MEN1KMT2APLK4KDR
SCHEMBL14674715 0.89 FLT3 (0.61) FLT3MEN1KMT2APLK4KDR
SCHEMBL29638300 0.89 FLT3 (0.61) FLT3MEN1KMT2APLK4KDR
SCHEMBL3748098 0.88 FLT3 (0.56) FLT3MEN1KMT2APLK4KDR
SCHEMBL13929132 0.85 LRRK2 (0.67) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL4722687 0.85 LRRK2 (0.67) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL29638270 0.85 LRRK2 (0.67) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL29638266 0.85 MEN1 (0.62) FLT3MEN1KMT2APLK4KDR
SCHEMBL3755030 0.85 FLT3 (0.71) FLT3MEN1KMT2AKDRLRRK2
SCHEMBL3755027 0.85 FLT3 (0.71) FLT3MEN1KMT2AKDRLRRK2

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-111116452-B Indolone derivatives with alpha-glucosidase inhibitory activity as well as preparation method and application thereof 五邑大学 2022-05-03 CN disclosed