SCHEMBL14095877

SCHEMBL14095877

Nc1ccc(S(=O)(=O)N2CCC(NCc3ccc4nonc4c3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMYD3 Q9H7B4 5/20 0.44
EBP Q15125 1/20 0.42
DHCR7 Q9UBM7 1/20 0.42
PKM P14618 2/20 0.40
TPSAB1 Q15661 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 4/20 0.39
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 2/20 0.38
FABP6 P51161 1/20 0.38

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
SCHEMBL14095865 0.81 TGM2 (0.54) KMT2AMEN1EBPDHCR7TPSAB1
SCHEMBL14045064 0.80 DPP4 (0.43) KMT2AMEN1HTTNAMPTMAPT
SCHEMBL14095882 0.78 ALDH1A1 (0.55) KMT2AMEN1PKMSMN1; SMN2NAMPT
SCHEMBL14095878 0.78 EBP (0.56) KMT2AMEN1EBPDHCR7PKM
SCHEMBL3296336 0.78 MAPT (0.44) KMT2AMEN1NAMPTMAPT
SCHEMBL14095885 0.77 PKM (0.51) KMT2AMEN1PKMMAPT
SCHEMBL14095881 0.77 KMT2A (0.55) KMT2AMEN1SMYD3EBPDHCR7
SCHEMBL14095883 0.74 ADRB3 (0.46) KMT2AMEN1EBPDHCR7PKM
SCHEMBL14095884 0.73 MEN1 (0.47) KMT2AMEN1SMYD3EBPDHCR7
SCHEMBL17484487 0.71 KCNJ1 (0.42) KMT2AMEN1PKMHTTKCNJ1

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-2008099073-A1 N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF SANOFI-AVENTIS (FR) 2008-08-21 WO disclosed