SCHEMBL17100601

SCHEMBL17100601

CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C(CC)c4ccccc4)no3)CC2)cc1.CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C(CC)c4ccccc4)no3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
GBA1 P04062 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
PKM P14618 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
YAP1 P46937 1/20 0.44
TEAD4 Q15561 1/20 0.44
TEAD2 Q15562 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL17100605 1.00 KMT2A (0.54) KMT2AMEN1GBA1L3MBTL1GAA
SCHEMBL17100829 0.91 ALDH1A1 (0.54) KMT2AGBA1LMNAPOLBPKM
SCHEMBL17100881 0.91 ALDH1A1 (0.54) KMT2AGBA1LMNAPOLBPKM
SCHEMBL17100726 0.91 ALDH1A1 (0.54) KMT2AGBA1LMNAPOLBPKM
SCHEMBL17100644 0.89 KDM2B (0.42) KMT2AMEN1GBA1L3MBTL1NPSR1
SCHEMBL17100932 0.81 L3MBTL1 (0.58) KMT2AMEN1GBA1L3MBTL1GAA
SCHEMBL17100701 0.79 KMT2A (0.53) KMT2AMEN1GBA1L3MBTL1GAA
SCHEMBL17100911 0.77 SMN1; SMN2 (0.56) KMT2AMEN1GBA1L3MBTL1GAA
SCHEMBL17100840 0.76 KMT2A (0.52) KMT2AMEN1GBA1L3MBTL1GAA
SCHEMBL17100931 0.76 KMT2A (0.52) KMT2AMEN1GBA1L3MBTL1GAA

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