SCHEMBL19684417

SCHEMBL19684417

CN/C(=C(\C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)NC1CCN(C)CC1)c1ccnn1-c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 5/20 0.42
DCUN1D1 Q96GG9 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 4/20 0.42
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 3/20 0.41
LDHA P00338 1/20 0.39
IDH2 P48735 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
KLKB1 P03952 1/20 0.37
CCR2 P41597 1/20 0.37
AURKA O14965 1/20 0.37

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
SCHEMBL19684414 0.90 ELANE (0.41) UBE2MDCUN1D1MEN1KMT2AELANE
SCHEMBL19684522 0.86 ELANE (0.48) MEN1KMT2AELANENPC1SMN1; SMN2
SCHEMBL19684419 0.86 ELANE (0.48) MEN1KMT2AELANENPC1SMN1; SMN2
SCHEMBL19684403 0.82 ELANE (0.47) MEN1KMT2AELANESMN1; SMN2AURKA
SCHEMBL19688358 0.80 EPHX2 (0.39) UBE2MDCUN1D1MEN1KMT2AELANE
SCHEMBL19688816 0.80 EPHX2 (0.40) UBE2MDCUN1D1MEN1KMT2AEPHX2
SCHEMBL19688336 0.79 EPHX2 (0.40) UBE2MDCUN1D1MEN1KMT2AELANE
SCHEMBL19684412 0.76 ELANE (0.43) MEN1KMT2AELANESMN1; SMN2AURKA
SCHEMBL19684716 0.72 MAPT (0.43) ELANELDHAIDH2AURKA
SCHEMBL19651226 0.72 ELANE (0.52) MEN1KMT2AELANE

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-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed