SCHEMBL8064978

SCHEMBL8064978

CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2CN)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 5/20 0.57
ADRB2 P07550 1/20 0.57
TSHR P16473 1/20 0.57
AKR1C3 P42330 2/20 0.57
MAPT P10636 3/20 0.56
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.55
POLB P06746 2/20 0.54
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MITF O75030 1/20 0.52
BRD4 O60885 1/20 0.52
BRD2 P25440 1/20 0.52

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
SCHEMBL3456302 0.83 AKR1C3 (0.77) MEN1KMT2AALDH1A1ADRB2TSHR
SCHEMBL23362097 0.81 ALDH1A1 (0.78) MEN1KMT2AALDH1A1ADRB2TSHR
SCHEMBL4534822 0.80 MEN1 (0.52) MEN1KMT2AALDH1A1ADRB2TSHR
SCHEMBL31086913 0.80 KMT2A (0.74) MEN1KMT2AALDH1A1ADRB2TSHR
SCHEMBL28169903 0.79 AKR1C3 (0.68) MEN1KMT2AALDH1A1ADRB2TSHR
SCHEMBL4534819 0.78 ALDH1A1 (0.54) MEN1KMT2AALDH1A1ADRB2TSHR
SCHEMBL14893235 0.78 ALDH1A1 (0.57) MEN1KMT2AALDH1A1AKR1C3MAPT
SCHEMBL31086922 0.78 ALDH1A1 (0.72) MEN1KMT2AALDH1A1TSHRLMNA
SCHEMBL31086839 0.76 KMT2A (0.69) MEN1KMT2AALDH1A1TSHRPOLB
SCHEMBL3300404 0.75 ALDH1A1 (0.84) MEN1KMT2AALDH1A1TSHRMAPT

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-2009070497-A1 SEH AND 11 β-HSD1 INHIBITORS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2009-06-04 WO disclosed