SCHEMBL16660464

SCHEMBL16660464

COCCN(C(=O)O)C(c1cccc(-c2cc3cccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)n1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MET P08581 4/20 0.36
LMNA P02545 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MST1R Q04912 2/20 0.32
KDR P35968 1/20 0.32
S1PR4 O95977 1/20 0.32
HSPB1 P04792 2/20 0.31
MAOA P21397 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
SCHEMBL16660462 1.00 MAPT (0.37) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL105275 0.82 MET (0.39) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL105274 0.82 MET (0.39) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL106462 0.79 MET (0.42) METMST1RKDR
SCHEMBL16660463 0.79 MST1R (0.41) MAPTALDH1A1MAPK1L3MBTL1SMN1; SMN2
SCHEMBL16660475 0.78 MET (0.43) METMST1RKDR
SCHEMBL16660474 0.78 MET (0.43) METMST1RKDR
SCHEMBL15808456 0.74 MET (0.41) METMST1RKDR
SCHEMBL15808458 0.74 MET (0.41) METMST1RKDR
SCHEMBL1480654 0.74 MET (0.42) MAPTSMN1; SMN2POLBNPSR1MET

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
US-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed