SCHEMBL13243079

SCHEMBL13243079

CC(Oc1ccccc1CN[C@H](CO)C(C)(C)C)[C@@H](CO)NCc1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MPO P05164 2/20 0.36
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA2 P00918 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL13243080 0.89 POLB (0.43) POLBMAPK1MEN1KMT2AMPO
SCHEMBL11977394 0.83 POLB (0.49) POLBMAPK1MEN1KMT2AMPO
SCHEMBL30396400 0.83 POLB (0.49) POLBMAPK1MEN1KMT2AMPO
SCHEMBL13243078 0.82 POLB (0.39) POLBMAPK1MEN1KMT2AMPO
SCHEMBL13243077 0.80 MAPK1 (0.51) POLBMAPK1MEN1KMT2AMPO
SCHEMBL13258583 0.80 MAPK1 (0.51) POLBMAPK1MEN1KMT2AMPO
SCHEMBL11977393 0.76 POLB (0.54) POLBMAPK1MEN1KMT2AMPO
SCHEMBL11977385 0.72 MAPK1 (0.49) POLBMAPK1MEN1KMT2AMPO
SCHEMBL13881285 0.71 POLB (0.46) POLBMAPK1MEN1KMT2AMPO
SCHEMBL13133347 0.70 GAA (0.49) MEN1KMT2AITGA4ITGB7MAPT

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
WO-2010093336-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 — — WO disclosed
WO-2010093327-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-08-19 — — WO disclosed
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