SCHEMBL3679368

SCHEMBL3679368

O=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)N1Cc2ccccc2C1.O=C(CON=C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)NCc1nccs1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
ESR2 Q92731 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NR3C1 P04150 1/20 0.37
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL2296846 0.92 KMT2A (0.41) ALDH1A1KMT2AHSD17B10MEN1NR3C1
SCHEMBL2297280 0.85 LMNA (0.47) ALDH1A1HSD17B10PPARGPPARDPPARA
SCHEMBL2292040 0.82 NPC1 (0.49) ALDH1A1KMT2AHSD17B10MEN1POLB
SCHEMBL2292814 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AHSD17B10MEN1LMNA
SCHEMBL2297393 0.79 LMNA (0.52) ALDH1A1KMT2AHSD17B10MEN1POLB
SCHEMBL2295296 0.79 NAMPT (0.48) NAMPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2294367 0.78 KMT2A (0.46) ALDH1A1KMT2AHSD17B10MEN1LMNA
SCHEMBL2296022 0.77 KMT2A (0.45) ALDH1A1KMT2AHSD17B10MEN1LMNA
SCHEMBL2293920 0.77 NAMPT (0.51) NAMPTALDH1A1KMT2AMEN1LMNA
SCHEMBL2292597 0.77 KMT2A (0.46) ALDH1A1KMT2AHSD17B10MEN1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164326-A1 AMIDE COMPOUNDS AND THE USE THEREOF Euro-Celtique, S.A. (LU) 2010-03-24 EP disclosed
WO-2008150447-A1 AMIDE COMPOUNDS AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2008-12-11 WO disclosed