SCHEMBL3467259

SCHEMBL3467259

COc1cc(S(=O)(=O)Nc2nnc(Cc3cccc(C(F)(F)F)c3)s2)cc(OC)c1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.55
MEN1 O00255 3/20 0.55
ALDH1A1 P00352 7/20 0.54
MAPT P10636 2/20 0.54
SCD O00767 2/20 0.53
GGT1 P19440 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RY1 P47900 1/20 0.43
GPR52 Q9Y2T5 1/20 0.43
HTT P42858 1/20 0.42
PKM P14618 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
SCHEMBL3466859 0.91 MEN1 (0.65) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467612 0.87 MEN1 (0.67) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467499 0.84 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467605 0.82 ALDH1A1 (0.57) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467458 0.81 ALDH1A1 (0.61) KMT2AMEN1ALDH1A1MAPTGGT1
SCHEMBL3467235 0.80 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467243 0.79 P2RY1 (0.52) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467123 0.79 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467283 0.76 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1MAPTSCD
SCHEMBL3467368 0.75 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1MAPTSCD

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed