SCHEMBL3467289

SCHEMBL3467289

O=S(=O)(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 9/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
RECQL P46063 1/20 0.47
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
GAA P10253 1/20 0.46
KLKB1 P03952 1/20 0.46
CTSB P07858 1/20 0.46
ELANE P08246 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3467511 0.90 MEN1 (0.52) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3468957 0.86 MEN1 (0.55) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3467276 0.85 ALDH1A1 (0.58) KMT2AMEN1ALDH1A1SMN1; SMN2MAPT
SCHEMBL3467566 0.82 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3468245 0.82 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3466833 0.82 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3467085 0.79 SMN1; SMN2 (0.51) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3467984 0.79 ALDH1A1 (0.52) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL3466719 0.78 SMN1; SMN2 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL3467284 0.76 NPC1 (0.50) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1

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