SCHEMBL9978043

SCHEMBL9978043

O=C(N1CCN(c2ccnc3cc(Cl)ccc23)CC1)C(Cl)(Cl)Cl

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
IDE P14735 3/20 0.80
CLK1 P49759 1/20 0.74
CCR5 P51681 1/20 0.72
MAPK1 P28482 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
MAPT P10636 1/20 0.71
STAT3 P40763 1/20 0.71
ALDH1A1 P00352 1/20 0.71
PKM P14618 1/20 0.64
ALOX15 P16050 1/20 0.64
CASP1 P29466 1/20 0.64
HSD17B10 Q99714 1/20 0.64
ADRB2 P07550 1/20 0.63
NCF1 P14598 1/20 0.63
DPP4 P27487 1/20 0.62
CHKA P35790 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
SCHEMBL27613311 0.85 CLK1 (0.77) MEN1KMT2AIDECLK1CCR5
SCHEMBL13891514 0.84 PKM (0.88) MEN1KMT2AIDECLK1CCR5
SCHEMBL19422873 0.83 ALDH1A1 (1.00) MEN1KMT2AIDECLK1CCR5
SCHEMBL9978124 0.83 MEN1 (1.00) MEN1KMT2AIDECLK1CCR5
SCHEMBL5579624 0.83 CCR5 (0.84) MEN1KMT2AIDECLK1CCR5
SCHEMBL3709053 0.82 IDE (0.76) MEN1KMT2AIDECLK1CCR5
SCHEMBL9977994 0.81 MEN1 (0.87) MEN1KMT2AIDECLK1CCR5
SCHEMBL19422869 0.80 MEN1 (0.81) MEN1KMT2AIDECLK1CCR5
SCHEMBL9977992 0.80 MEN1 (0.73) MEN1KMT2AIDECLK1CCR5
SCHEMBL9977988 0.79 MAPK1 (1.00) MEN1KMT2AIDECLK1CCR5

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