SCHEMBL30309604

SCHEMBL30309604

Cc1cc(S(=O)(=O)NCCO)ccc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
MAPT P10636 1/20 0.54
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
CYP2C19 P33261 2/20 0.47
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
PIK3CD O00329 3/20 0.43
PIK3CG P48736 2/20 0.43
PIK3C3 Q8NEB9 2/20 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
SCHEMBL20743845 1.00 PKM (0.54) PKMKMT2AMEN1MAPTALDH1A1
SCHEMBL2472213 0.85 ALDH1A1 (0.59) PKMKMT2AMEN1MAPTALDH1A1
SCHEMBL3245898 0.84 MAPT (0.51) PKMKMT2AMEN1MAPTALDH1A1
SCHEMBL30309628 0.83 PKM (0.54) PKMKMT2AMEN1MAPTALDH1A1
SCHEMBL20743638 0.83 PKM (0.54) PKMKMT2AMEN1MAPTALDH1A1
SCHEMBL20743797 0.83 PKM (0.54) PKMKMT2AMEN1MAPTALDH1A1
SCHEMBL2472829 0.82 APEX1 (0.54) KMT2AALDH1A1GAAKDM4ETDP1
SCHEMBL16509809 0.79 S1PR1 (0.44) KMT2AMEN1MAPTALDH1A1PDE4A
SCHEMBL19771455 0.79 LMNA (0.54) PKMALDH1A1GAAMAPK1HTT
SCHEMBL20743599 0.78 ALDH1A1 (0.56) PKMKMT2AMEN1MAPTALDH1A1

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
CN-110997651-B Novel tetrazole compounds and their use in the treatment of tuberculosis 葛兰素史密斯克莱知识产权发展有限公司 2023-01-03 CN disclosed