SCHEMBL3707448

SCHEMBL3707448

COc1ccc(CNC(=S)Nc2ccc(Cl)c(Cl)c2)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.62
ALDH1A1 P00352 6/20 0.57
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.55
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 4/20 0.52
HPGD P15428 3/20 0.52
ALOX12 P18054 2/20 0.52
HTT P42858 2/20 0.52
GAA P10253 2/20 0.52
THRB P10828 1/20 0.52
HTR2A P28223 1/20 0.51
SLC6A4 P31645 1/20 0.51
KCNH2 Q12809 1/20 0.51
ACHE P22303 1/20 0.50
APLNR P35414 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL3705022 0.83 ALDH1A1 (0.80) QPCTALDH1A1MEN1KMT2AMAPT
SCHEMBL15758317 0.81 KMT2A (0.54) ALDH1A1MEN1KMT2AMAPTHTR2A
SCHEMBL20496920 0.78 APLNR (0.61) QPCTALDH1A1SMN1; SMN2TDP1LMNA
SCHEMBL26324037 0.75 APLNR (0.65) QPCTALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL13735975 0.74 LMNA (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2226834 0.74 APLNR (0.63) QPCTALDH1A1SMN1; SMN2TDP1HPGD
SCHEMBL14434612 0.74 MAPT (0.78) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14433869 0.73 MEN1 (0.69) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23175312 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL29987898 0.73 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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