SCHEMBL17100787

SCHEMBL17100787

O=S(=O)(c1ccc(OC(F)F)cc1)N1CCN(c2nc(CCCc3ccccc3)no2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PTGDR Q13258 2/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PKM P14618 1/20 0.39
KDM2B Q8NHM5 1/20 0.38
GBA1 P04062 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DGAT1 O75907 1/20 0.38
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL17100728 0.90 LMNA (0.41) MEN1KMT2APTGDRLMNAALDH1A1
SCHEMBL17100682 0.84 LMNA (0.43) MEN1KMT2APTGDRLMNAALDH1A1
SCHEMBL17100852 0.83 LMNA (0.42) MEN1KMT2APTGDRLMNAALDH1A1
SCHEMBL17100735 0.82 ALDH1A1 (0.44) PTGDRLMNAALDH1A1SMN1; SMN2PKM
SCHEMBL17100956 0.82 LMNA (0.42) MEN1KMT2APTGDRLMNAALDH1A1
SCHEMBL17100677 0.81 ALDH1A1 (0.46) MEN1KMT2APTGDRLMNAALDH1A1
SCHEMBL17100794 0.81 LMNA (0.44) MEN1KMT2APTGDRLMNAALDH1A1
SCHEMBL17100859 0.79 ALDH1A1 (0.39) KMT2APTGDRLMNAALDH1A1SMN1; SMN2
SCHEMBL17100644 0.78 KDM2B (0.42) MEN1KMT2APTGDRLMNAALDH1A1
SCHEMBL17100810 0.78 GBA1 (0.41) MEN1KMT2APTGDRLMNAALDH1A1

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-3119774-A1 OXADIAZOLE COMPOUNDS reMynd NV (BE) 2017-01-25 EP disclosed
WO-2015140130-A1 OXADIAZOLE COMPOUNDS REMYND NV (BE) 2015-09-24 WO disclosed