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Sugi Predict / Compounds / SCHEMBL1440748

SCHEMBL1440748

SCHEMBL1440748

CCOC(=O)CN(C)c1cccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(c3)CNC4=N)C2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 12/20 0.47
▸ KMT2A Q03164 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ DNMT1 P26358 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 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
SCHEMBL1444111 0.91 F9 (0.49) F9
SCHEMBL1947091 0.90 F9 (0.49) F9KMT2AUSP2DNMT1TDP1
SCHEMBL1441849 0.88 F9 (0.49) F9ALDH1A1TSHR
SCHEMBL1947805 0.87 F9 (0.48) F9KMT2AALDH1A1
SCHEMBL1950547 0.85 F9 (0.48) F9KMT2AALDH1A1TSHR
SCHEMBL1438640 0.84 F9 (0.50) F9
SCHEMBL1438658 0.83 F9 (0.51) F9DNMT1TDP1L3MBTL1
SCHEMBL1439372 0.83 F9 (0.51) F9ALDH1A1
SCHEMBL7902929 0.83 F9 (0.52) F9KMT2A
SCHEMBL1947223 0.83 F9 (0.52) F9KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2473491-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS Mochida Pharmaceutical Co., Ltd. (JP) 2012-07-11 — — EP disclosed
WO-2011025565-A1 MORPHOLINONE COMPOUNDS AS FACTOR IXA INHIBITORS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 — — WO disclosed