SCHEMBL20828486

SCHEMBL20828486

COc1ccccc1CC(=O)Nc1nnc(C2CCCC2)s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLS O94925 8/20 0.63
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
POLB P06746 1/20 0.61
CYP2C19 P33261 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPK1 P28482 1/20 0.59
RECQL P46063 1/20 0.57
GUSB P08236 1/20 0.57
CFTR P13569 1/20 0.57
MAPT P10636 1/20 0.56
STAT3 P40763 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56

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
SCHEMBL20392305 0.99 GLS (0.65) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725086 0.96 GLS (0.65) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725085 0.96 GLS (0.65) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725114 0.94 GLS (0.68) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725011 0.94 GLS (0.68) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725147 0.91 GLS (0.67) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725041 0.91 GLS (0.67) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725077 0.91 GLS (0.67) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15709926 0.90 GLS (0.63) GLSMEN1KMT2APOLBCYP2C19
SCHEMBL15725063 0.90 GLS (0.63) GLSMEN1KMT2APOLBCYP2C19

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
EP-3456719-A1 COMPOUNDS AND THEIR METHODS OF USE Agios Pharmaceuticals, Inc. (US) 2019-03-20 EP disclosed