SCHEMBL15084559

SCHEMBL15084559

O=c1c(-c2ccc(F)cc2)cn(Cc2ccccc2)c2ccnc(Cl)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 1/20 0.46
▸ LMNA P02545 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ GPR55 Q9Y2T6 1/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ NFATC1 O95644 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ KCNH2 Q12809 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ SERPINE1 P05121 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38

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
SCHEMBL15084528 0.85 MET (0.46) METLMNASMN1; SMN2
SCHEMBL15084540 0.82 PDE4B (0.37) METLMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL15084533 0.78 MET (0.44) METLMNASMN1; SMN2ALDH1A1GSK3B
SCHEMBL15084531 0.77 GAA (0.43) METKMT2AALDH1A1KDM4EMAPT
SCHEMBL1741220 0.76 CA12 (0.45) METLMNAKMT2AALDH1A1MAPT
SCHEMBL15084574 0.73 MET (0.67) MET
SCHEMBL15084519 0.65 MET (0.49) MET
SCHEMBL29827188 0.65 MET (0.49) MET
SCHEMBL5435554 0.65 PTGDR2 (0.54) ALDH1A1SERPINE1
SCHEMBL14771217 0.64 MAPT (0.52) LMNASMN1; SMN2KMT2AALDH1A1KDM4E

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
WO-2013097753-A1 FUSED HETEROCYCLIC DERIVATIVE AND APPLICATION THEREOF 江苏先声药业有限公司 (CN) 2013-07-04 — — WO disclosed
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