SCHEMBL16660463

SCHEMBL16660463

COCCN(Cc1cccc(-c2cc3cccc(Oc4ccc([N+](=O)[O-])cc4F)c3s2)n1)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MST1R Q04912 1/20 0.41
MAPT P10636 4/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MET P08581 5/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
S1PR4 O95977 1/20 0.32
MAOA P21397 1/20 0.32
HSPB1 P04792 2/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDR P35968 2/20 0.31
NTRK1 P04629 1/20 0.30
KIT P10721 1/20 0.30
AXL P30530 1/20 0.30
FLT3 P36888 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
SCHEMBL105274 0.91 MET (0.39) MST1RMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL105275 0.91 MET (0.39) MST1RMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL171881 0.91 MST1R (0.50) MST1RMETKDRNTRK1KIT
SCHEMBL2602366 0.84 MST1R (0.44) MST1RMETKDR
SCHEMBL13927478 0.80 MST1R (0.38) MST1R
SCHEMBL106463 0.79 MST1R (0.52) MST1RMETKDRNTRK1KIT
SCHEMBL16660464 0.79 MAPT (0.37) MST1RMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL16660462 0.79 MAPT (0.37) MST1RMAPTPOLBSMN1; SMN2NPSR1
SCHEMBL16660454 0.79 HDAC3 (0.34) MST1RPOLBALDH1A1LMNAKMT2A
SCHEMBL13166757 0.78 MST1R (0.50) MST1RMAPTPOLBSMN1; SMN2NPSR1

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