SCHEMBL3705022

SCHEMBL3705022

COc1ccc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.80
MAPT P10636 5/20 0.80
KMT2A Q03164 4/20 0.80
MEN1 O00255 3/20 0.80
LMNA P02545 3/20 0.66
MAOB P27338 2/20 0.66
MAOA P21397 1/20 0.66
ATM Q13315 1/20 0.66
ALOX12 P18054 1/20 0.66
HTT P42858 2/20 0.62
GAA P10253 1/20 0.62
PKM P14618 1/20 0.61
MAPK1 P28482 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
QPCT Q16769 1/20 0.60

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
SCHEMBL28542942 0.85 ALDH1A1 (0.86) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL14433882 0.85 ALDH1A1 (0.86) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3707448 0.83 QPCT (0.62) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6819847 0.82 MAPT (0.71) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL31706880 0.80 MEN1 (0.67) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL5450386 0.79 MAOB (0.89) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL20536913 0.79 MAOB (1.00) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15758638 0.78 SMN1; SMN2 (0.66) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL6819840 0.78 MAPT (0.68) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL3822991 0.78 ALDH1A1 (1.00) ALDH1A1MAPTKMT2AMEN1LMNA

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-2010086613-A1 COMPOUNDS USEFUL AS INHIBITORS AS AMPK BETAGENON AB (SE) 2010-08-05 WO disclosed