SCHEMBL12812948

SCHEMBL12812948

CNC(=O)Cc1cccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(c3)CNC4=N)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.52
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
ROCK2 O75116 2/20 0.32
KCNQ2 O43526 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
BLM P54132 1/20 0.31
PGR P06401 1/20 0.31
KDR P35968 1/20 0.30

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
SCHEMBL1441109 0.92 F9 (0.52) F9DDB1CRBNALDH1A1KMT2A
SCHEMBL1439372 0.91 F9 (0.51) F9DDB1CRBNALDH1A1MAPT
SCHEMBL1438640 0.91 F9 (0.50) F9DDB1CRBNPGR
SCHEMBL1441849 0.89 F9 (0.49) F9DDB1CRBNALDH1A1
SCHEMBL12812955 0.89 F9 (0.50) F9KCNQ2KDM4EALDH1A1KMT2A
SCHEMBL12812956 0.89 F9 (0.54) F9DDB1CRBNKCNQ2KDM4E
SCHEMBL1438630 0.89 F9 (0.51) F9KMT2A
SCHEMBL12816537 0.88 F9 (0.53) F9KMT2AMEN1
SCHEMBL15108885 0.88 F9 (0.53) F9KMT2AMEN1
SCHEMBL12548273 0.87 F9 (0.48) F9ROCK2

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-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 WO disclosed