SCHEMBL27909520

SCHEMBL27909520

O=C(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cn1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
SLC6A7 Q99884 1/20 0.61
PRKAA2 P54646 3/20 0.60
TSHR P16473 5/20 0.58
LMNA P02545 3/20 0.58
USP2 O75604 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.58
PRKAB2 O43741 1/20 0.57
PRKAG1 P54619 1/20 0.57
PRKAA1 Q13131 1/20 0.57
PRKAG3 Q9UGI9 1/20 0.57
PRKAG2 Q9UGJ0 1/20 0.57
PRKAB1 Q9Y478 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 4/20 0.56
HSD17B10 Q99714 1/20 0.54
CA12 O43570 1/20 0.54

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
SCHEMBL13406708 0.83 ALDH1A1 (0.63) POLBMEN1KMT2ASLC6A7TSHR
SCHEMBL10721777 0.82 MEN1 (0.87) POLBMEN1KMT2ASLC6A7TSHR
SCHEMBL15302690 0.81 MEN1 (0.58) POLBMEN1KMT2ASLC6A7PRKAA2
SCHEMBL518526 0.81 PRKAA2 (0.71) MEN1KMT2APRKAA2PRKAB2PRKAG1
SCHEMBL8595777 0.78 POLB (0.87) POLBMEN1KMT2ASLC6A7TSHR
SCHEMBL21987023 0.77 MAPT (0.69) POLBMEN1KMT2ASLC6A7TSHR
SCHEMBL519229 0.76 PRKAA2 (1.00) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL8161635 0.76 SLC6A7 (1.00) POLBMEN1KMT2ASLC6A7TSHR
SCHEMBL27927256 0.75 TSHR (0.66) POLBMEN1KMT2ASLC6A7TSHR
SCHEMBL10721885 0.75 POLB (0.74) POLBMEN1KMT2ASLC6A7TSHR

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-103201267-A AMPK-activating heterocyclic compounds and methods of use thereof RIGEL PHARMACEUTICALS INC 2013-07-10 CN claimed