SCHEMBL3467152

SCHEMBL3467152

O=S(=O)(Nc1nnc(CCOc2ccc(Cl)cc2)s1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
ALDH1A1 P00352 7/20 0.53
PKM P14618 1/20 0.52
MAPT P10636 1/20 0.50
CA1 P00915 1/20 0.48
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48
ELANE P08246 1/20 0.48
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN3A Q9NY46 2/20 0.46
SCN1A P35498 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 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
SCHEMBL3468957 0.90 MEN1 (0.55) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3467266 0.88 ALDH1A1 (0.62) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3467511 0.87 MEN1 (0.52) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3466835 0.84 ALDH1A1 (0.50) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3467359 0.83 ALDH1A1 (0.52) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL5395378 0.80 AKT1 (0.65) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3467586 0.80 ALDH1A1 (0.56) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3467041 0.80 ALDH1A1 (0.48) MEN1KMT2AALDH1A1PKMMAPT
SCHEMBL3467284 0.80 NPC1 (0.50) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3467515 0.78 RECQL (0.56) MEN1KMT2AALDH1A1PKMMAPT

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

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