SCHEMBL13749412

SCHEMBL13749412

C=C/C=C(\C=C(/N)OC)c1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccc(N)cc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.32
ACHE P22303 1/20 0.32
CNR2 P34972 1/20 0.32
MAPK1 P28482 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL13748768 0.90 ELANE (0.36) CNR1ACHECNR2ACSS2
SCHEMBL4140168 0.70 ELANE (0.51)
SCHEMBL12373963 0.67 CNR1 (0.39) CNR1ACHECNR2MAPK1ACSS2
SCHEMBL18113532 0.64 CNR1 (0.36) CNR1ACHECNR2MAPK1ACSS2
SCHEMBL19672028 0.64 FGFR1 (0.33)
SCHEMBL13854954 0.63 KMT2A (0.38) MAPK1
SCHEMBL16025626 0.63 ELANE (0.37)
SCHEMBL2280858 0.63 CNR1 (0.35) CNR1ACHECNR2MAPK1
SCHEMBL19671840 0.62 ACSS2 (0.36) ACSS2
SCHEMBL30084116 0.62 PTGER1 (0.38) CNR1ACHECNR2MAPK1

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
WO-2009105500-A1 COMPOUNDS THAT ARE ERK INHIBITORS SCHERING CORPORATION (US) 2009-08-27 WO disclosed