SCHEMBL3707450

SCHEMBL3707450

COc1ccc(CNC(=O)N(S)c2ccc(Cl)c(Cl)c2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.48
SLC6A4 P31645 2/20 0.48
KCNH2 Q12809 2/20 0.48
ALDH1A1 P00352 5/20 0.48
APLNR P35414 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL3705026 0.84 TSHR (0.50) ALDH1A1TSHRPKMHTTSMN1; SMN2
SCHEMBL13735978 0.74 CYP3A4 (0.41) ALDH1A1TSHRHPGDHTTSMN1; SMN2
SCHEMBL18415441 0.73 TAS1R3 (0.67) ALDH1A1APLNRTAS1R3TAS1R1TSHR
SCHEMBL2261220 0.72 APLNR (0.65) ALDH1A1APLNRTAS1R3TAS1R1TSHR
SCHEMBL10141758 0.72 APLNR (0.65) ALDH1A1APLNRTAS1R3TAS1R1TSHR
SCHEMBL2223385 0.72 ALDH1A1 (0.59) ALDH1A1APLNRTAS1R3TAS1R1TSHR
SCHEMBL3707448 0.71 QPCT (0.62) HTR2ASLC6A4KCNH2ALDH1A1APLNR
SCHEMBL3361891 0.71 APLNR (0.63) ALDH1A1APLNRTAS1R3TAS1R1TSHR
SCHEMBL23985899 0.71 TAS1R3 (0.71) ALDH1A1TAS1R3TAS1R1TSHRNPSR1
SCHEMBL15758317 0.71 KMT2A (0.54) HTR2ASLC6A4KCNH2ALDH1A1APLNR

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