SCHEMBL8311563

SCHEMBL8311563

N#Cc1cccc(-c2csc(-c3cccc(C#N)n3)n2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.45
CTSS P25774 2/20 0.42
CYP19A1 P11511 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39
PIM1 P11309 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
CDC25A P30304 1/20 0.36
CDC25B P30305 1/20 0.36
CDC25C P30307 1/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36

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
SCHEMBL21689116 0.89 FBP1 (0.44) EIF4ECTSSCYP19A1PIM1PIM3
SCHEMBL21663982 0.87 EIF4E (0.40) EIF4ECTSSCYP19A1TRPV4PIM1
SCHEMBL8313981 0.83 EIF4E (0.44) EIF4ECTSSCYP19A1KDM4EMAPT
SCHEMBL21689426 0.83 FBP1 (0.50) CTSSPIM1PIM3PIM2KDM4E
SCHEMBL21663978 0.81 GAA (0.53) CTSSTRPV4IDH1KDM4EMAPT
SCHEMBL9220648 0.81 CTSS (0.55) CTSSPIM1PIM3PIM2IDH1
SCHEMBL29988787 0.81 CTSS (0.55) CTSSPIM1PIM3PIM2IDH1
SCHEMBL1771966 0.79 CTSS (0.53) CTSSPIM1PIM3PIM2IDH1
SCHEMBL21688771 0.79 CYP19A1 (0.32) EIF4ECYP19A1TRPV4
SCHEMBL8922774 0.75 PDE4A (0.66) EIF4ECTSSCYP19A1CDC25ACDC25B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626068-B1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1999-05-06 EP disclosed
US-5571897-A Luminescent lanthanide chelates WALLAC OY (FI) 1996-11-05 US disclosed