SCHEMBL29638277

SCHEMBL29638277

O=C1Nc2ccc(F)cc2/C1=C/c1ccc(F)c(F)c1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.64
KDR P35968 2/20 0.61
LRRK2 Q5S007 4/20 0.59
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PSEN1 P49768 1/20 0.52
PSEN2 P49810 1/20 0.52
APH1B Q8WW43 1/20 0.52
NCSTN Q92542 1/20 0.52
APH1A Q96BI3 1/20 0.52
PSENEN Q9NZ42 1/20 0.52
PDGFRB P09619 1/20 0.52
CCNE1 P24864 2/20 0.52
CDK2 P24941 2/20 0.52
CCNE2 O96020 1/20 0.52
PARP1 P09874 1/20 0.51
RPS6KA3 P51812 1/20 0.51

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
SCHEMBL14674268 1.00 FLT3 (0.64) FLT3KDRLRRK2MEN1KMT2A
SCHEMBL14674269 1.00 FLT3 (0.64) FLT3KDRLRRK2MEN1KMT2A
SCHEMBL14674419 0.88 KDR (0.72) FLT3KDRLRRK2MEN1KMT2A
SCHEMBL29638292 0.88 KDR (0.72) FLT3KDRLRRK2MEN1KMT2A
SCHEMBL14674418 0.88 KDR (0.72) FLT3KDRLRRK2MEN1KMT2A
SCHEMBL14674289 0.87 LRRK2 (0.76) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL14674288 0.87 LRRK2 (0.76) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL7139500 0.86 MAPT (0.63) FLT3KDRLRRK2MEN1KMT2A
SCHEMBL29638269 0.86 LRRK2 (0.67) FLT3KDRLRRK2MEN1KMT2A
SCHEMBL5469417 0.85 KDR (0.73) FLT3KDRMEN1KMT2APSEN1

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