SCHEMBL13748768

SCHEMBL13748768

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

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.36
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
CNR2 P34972 1/20 0.33
ACSS2 Q9NR19 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
SCHEMBL13749412 0.90 CNR1 (0.32) CNR1ACHECNR2ACSS2
SCHEMBL14785602 0.66 ELANE (0.66) ELANE
SCHEMBL19671840 0.66 ACSS2 (0.36) ELANEACSS2
SCHEMBL4140168 0.66 ELANE (0.51) ELANE
SCHEMBL12373963 0.65 CNR1 (0.39) CNR1ACHECNR2ACSS2
SCHEMBL2274094 0.64 CNR1 (0.36) ELANECNR1ACHECNR2ACSS2
SCHEMBL18113532 0.62 CNR1 (0.36) CNR1ACHECNR2ACSS2
SCHEMBL26130120 0.62 ACSS2 (0.45) ACSS2
SCHEMBL19672028 0.62 FGFR1 (0.33) ELANE
SCHEMBL16025626 0.61 ELANE (0.37) ELANE

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