SCHEMBL14541073

SCHEMBL14541073

COc1ccc(C2=NN(C(=O)c3ccccc3)C(c3ccccn3)C2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ ALDH1A1 P00352 1/20 0.66
▸ PKM P14618 1/20 0.64
▸ MAPT P10636 2/20 0.60
▸ BCL2 P10415 1/20 0.59
▸ BECN1 Q14457 1/20 0.59
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ CA1 P00915 2/20 0.58
▸ CA2 P00918 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.57
▸ CA9 Q16790 1/20 0.56
▸ MAOA P21397 2/20 0.54
▸ MAOB P27338 2/20 0.54
▸ HTT P42858 1/20 0.54

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
SCHEMBL14541076 0.92 PKM (0.60) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL25560057 0.85 BCL2 (0.83) PKMBCL2BECN1
SCHEMBL30370016 0.85 BCL2 (0.83) PKMBCL2BECN1
SCHEMBL14541074 0.85 KMT2A (0.82) KMT2AMEN1ALDH1A1PKMMAPT
SCHEMBL14540884 0.83 KMT2A (0.87) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL14540886 0.81 MEN1 (0.83) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL25417750 0.80 BCL2 (0.68) KMT2AMEN1BCL2BECN1CA1
SCHEMBL14541077 0.79 MEN1 (0.55) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL14540890 0.78 BCL2 (0.68) PKMBCL2BECN1CA1CA2
SCHEMBL25416384 0.78 BCL2 (0.68) KMT2AMEN1ALDH1A1PKMBCL2

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-2007038425-A2 ANTI-VIRAL COMPOUINDS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-04-05 — — WO disclosed
Send feedback