SCHEMBL9977992

SCHEMBL9977992

O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
MAPK1 P28482 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.73
MAPT P10636 1/20 0.73
STAT3 P40763 1/20 0.73
CLK1 P49759 1/20 0.69
CCR5 P51681 1/20 0.68
ALDH1A1 P00352 1/20 0.67
IDE P14735 3/20 0.65
NPSR1 Q6W5P4 1/20 0.62

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
SCHEMBL9978124 0.85 MEN1 (1.00) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL17552184 0.84 MEN1 (0.69) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9977994 0.83 MEN1 (0.87) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL27613311 0.82 CLK1 (0.77) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL19422869 0.82 MEN1 (0.81) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL13891514 0.81 PKM (0.88) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL19422870 0.81 MEN1 (0.87) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9978123 0.81 MEN1 (0.87) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL9978122 0.81 SMN1; SMN2 (0.72) MEN1KMT2AMAPK1SMN1; SMN2MAPT
SCHEMBL5579624 0.80 CCR5 (0.84) MEN1KMT2AMAPK1SMN1; SMN2MAPT

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-2012079164-A1 ACTIVATORS OF CYLINDRICAL PROTEASES THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2012-06-21 WO disclosed