SCHEMBL9977996

SCHEMBL9977996

O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.83
KMT2A Q03164 3/20 0.83
SMN1; SMN2 Q16637 2/20 0.83
MAPT P10636 1/20 0.83
MAPK1 P28482 1/20 0.83
STAT3 P40763 1/20 0.83
CLK1 P49759 1/20 0.65
CCR5 P51681 1/20 0.64
ALDH1A1 P00352 1/20 0.63
IDE P14735 3/20 0.62
RXFP1 Q9HBX9 1/20 0.61
PDGFRB P09619 1/20 0.59

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
SCHEMBL9977994 0.93 MEN1 (0.87) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL9978124 0.91 MEN1 (1.00) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL19422870 0.87 MEN1 (0.87) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL9978123 0.87 MEN1 (0.87) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL19410590 0.86 MEN1 (0.74) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL19422869 0.86 MEN1 (0.81) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL19422871 0.83 MEN1 (0.80) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL9978122 0.83 SMN1; SMN2 (0.72) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL9978024 0.82 MAPT (0.78) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL9978126 0.82 MEN1 (0.74) MEN1KMT2ASMN1; SMN2MAPTMAPK1

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