SCHEMBL12812955

SCHEMBL12812955

N=C1NCc2cc(NC(=O)[C@H](O)[C@H]3OCCN(c4cccc(CC(=O)N5CCCC5)c4)C3=O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 12/20 0.50
PRMT3 O60678 1/20 0.34
POLB P06746 2/20 0.33
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CASP3 P42574 1/20 0.31
CASP2 P42575 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
KCNQ2 O43526 1/20 0.31
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
BLM P54132 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
SCHEMBL1438630 0.95 F9 (0.51) F9KMT2A
SCHEMBL12812947 0.92 F9 (0.48) F9
SCHEMBL1441109 0.91 F9 (0.52) F9MEN1KMT2AALDH1A1MAPT
SCHEMBL1440213 0.90 F9 (0.46) F9
SCHEMBL15104435 0.90 F9 (0.46) F9
SCHEMBL1438388 0.89 F9 (0.46) F9KMT2A
SCHEMBL1439994 0.89 F9 (0.46) F9KMT2A
SCHEMBL12812948 0.89 F9 (0.52) F9POLBMEN1KMT2AKCNQ2
SCHEMBL1439372 0.89 F9 (0.51) F9ALDH1A1MAPT
SCHEMBL1438640 0.89 F9 (0.50) F9

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