SCHEMBL19684414

SCHEMBL19684414

CN/C(=C(\C(=O)Nc1cccc(C(F)(F)F)c1)C(=O)NC1CCC(CBr)CC1)c1ccnn1-c1ccc(C#N)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.41
KLKB1 P03952 2/20 0.40
UBE2M P61081 2/20 0.39
DCUN1D1 Q96GG9 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LDHA P00338 1/20 0.39
KCNJ6 P48051 1/20 0.37
KCNJ5 P48544 1/20 0.37
KCNJ3 P48549 1/20 0.37
EPHX2 P34913 3/20 0.37
AURKA O14965 1/20 0.36
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IDH1 O75874 1/20 0.35

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
SCHEMBL19684417 0.90 UBE2M (0.42) ELANEKLKB1UBE2MDCUN1D1MEN1
SCHEMBL19684522 0.84 ELANE (0.48) ELANEMEN1KMT2AKCNJ6KCNJ5
SCHEMBL19684419 0.84 ELANE (0.48) ELANEKLKB1MEN1KMT2ALDHA
SCHEMBL19684403 0.82 ELANE (0.47) ELANEMEN1KMT2AAURKARXFP1
SCHEMBL19688358 0.80 EPHX2 (0.39) ELANEKLKB1UBE2MDCUN1D1MEN1
SCHEMBL19688816 0.80 EPHX2 (0.40) UBE2MDCUN1D1MEN1KMT2ALDHA
SCHEMBL19688336 0.79 EPHX2 (0.40) ELANEKLKB1UBE2MDCUN1D1MEN1
SCHEMBL19684412 0.76 ELANE (0.43) ELANEMEN1KMT2AAURKARXFP1
SCHEMBL19651229 0.72 ELANE (0.49) ELANE
SCHEMBL19684409 0.72 ELANE (0.49) 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-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed