SCHEMBL14095940

SCHEMBL14095940

COc1cccc(CNC2CCN(S(=O)(=O)c3ccc(N)cc3)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CCR6 P51684 3/20 0.46
ADRB3 P13945 3/20 0.44
ADRB1 P08588 2/20 0.44
KDM1A O60341 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PKM P14618 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.41

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
SCHEMBL14095784 0.86 MEN1 (0.48) MEN1KMT2ACCR6ADRB3ADRB1
SCHEMBL14095883 0.79 ADRB3 (0.46) MEN1KMT2ACCR6ADRB3ADRB1
SCHEMBL3299350 0.79 MAPT (0.41) MEN1KMT2ACCR6PKMSMN1; SMN2
SCHEMBL2262940 0.78 KDM1A (0.60) KDM1AMAOAMAOB
SCHEMBL14095785 0.78 KMT2A (0.56) MEN1KMT2ACCR6PKMSMN1; SMN2
SCHEMBL14095878 0.73 EBP (0.56) MEN1KMT2APKMSMN1; SMN2HTT
SCHEMBL14095860 0.73 HTT (0.48) MEN1KMT2ACCR6PKMSMN1; SMN2
SCHEMBL14095881 0.72 KMT2A (0.55) MEN1KMT2APKMSMN1; SMN2MAPT
SCHEMBL14095783 0.72 KMT2A (0.49) MEN1KMT2AADRB3ADRB1KDM1A
SCHEMBL14095875 0.71 PKM (0.57) MEN1KMT2APKMSMN1; 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-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