SCHEMBL3380396

SCHEMBL3380396

Sc1nncn1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.38
MAPK10 P53779 1/20 0.38
CHKA P35790 1/20 0.34
BCHE P06276 1/20 0.33
ADRB2 P07550 1/20 0.31
NCF1 P14598 1/20 0.31
PLD1 Q13393 1/20 0.31
MAOA P21397 1/20 0.31
CYP17A1 P05093 1/20 0.30
FGFR1 P11362 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
SCHEMBL1151405 0.81 MAPK1 (0.41) FGFR1
SCHEMBL9895153 0.79 MAPK1 (0.41) FGFR1
SCHEMBL14112937 0.78 MAPK1 (0.43)
SCHEMBL14204102 0.73 TUBB4A (0.49) CHKA
SCHEMBL14204086 0.68 OPRD1 (0.57) FGFR1
SCHEMBL9802365 0.68 MAPK9 (0.37) MAPK9MAPK10CHKABCHEADRB2
SCHEMBL25215742 0.67 MAPK9 (0.52) MAPK9MAPK10
SCHEMBL3271173 0.67 OPRD1 (0.52) MAPK9MAPK10CYP17A1
SCHEMBL27865131 0.66 MAPK9 (0.48) MAPK9MAPK10
SCHEMBL14112930 0.66 ALDH1A1 (0.51) MAPK10FGFR1

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-2142485-A1 METALLIC SURFACE ENHANCEMENT Enthone, Inc. (US) 2010-01-13 EP disclosed
WO-2008131206-A1 METALLIC SURFACE ENHANCEMENT ENTHONE INC. (US) 2008-10-30 WO disclosed