SCHEMBL22562860

SCHEMBL22562860

Cc1c(-c2ccnn2-c2ccc(C#N)cc2)n(C(=O)N[C@@H](C)c2nnc(CN(C)C)o2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.51
CCR1 P32246 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AVPR1B P47901 1/20 0.34
CTSK P43235 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL21835861 0.91 ELANE (0.49) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL21835860 0.91 ELANE (0.49) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL19502934 0.90 ELANE (0.49) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL21860387 0.89 ELANE (0.49) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL19523399 0.88 ELANE (0.51) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL28663217 0.86 ELANE (0.45) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL19523397 0.86 ELANE (0.48) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL19523396 0.86 ELANE (0.48) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL19502916 0.86 ELANE (0.45) ELANECCR1MEN1KMT2AAVPR1B
SCHEMBL19502918 0.86 ELANE (0.45) ELANECCR1MEN1KMT2AAVPR1B

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
EP-3464273-B9 IMIDAZOLONE COMPOUNDS AS HUMAN NEUTROPHIL ELASTASE INHIBITORS CHIESI FARM SPA (IT) 2020-10-21 EP disclosed