Sugi Predict

Sugi Predict / Compounds / SCHEMBL21796124

SCHEMBL21796124

SCHEMBL21796124

CC(NC(=O)c1c(-c2ccnn2-c2ccc(C#N)cc2)n(C)n(-c2cccc(C(F)(F)F)c2)c1=O)c1nnc(C[N+](C)(C)C)o1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 17/20 0.47
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CTSK P43235 2/20 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
Benzene SCHEMBL19639977 0.99 ELANE (0.47) ELANEMEN1KMT2ACTSK
SCHEMBL19656262 0.91 ELANE (0.49) ELANEMEN1KMT2ACTSK
SCHEMBL21796091 0.89 ELANE (0.47) ELANEMEN1KMT2A
Benzene SCHEMBL19640005 0.89 ELANE (0.46) ELANEMEN1KMT2A
SCHEMBL19656228 0.85 ELANE (0.47) ELANEMEN1KMT2ACTSK
SCHEMBL19656230 0.85 ELANE (0.47) ELANEMEN1KMT2ACTSK
SCHEMBL21796131 0.85 ELANE (0.47) ELANEMEN1KMT2A
Benzene SCHEMBL19639962 0.85 ELANE (0.47) ELANEMEN1KMT2A
Benzene SCHEMBL19639976 0.85 ELANE (0.46) ELANEMEN1KMT2A
SCHEMBL21835860 0.84 ELANE (0.49) ELANEMEN1KMT2A

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-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 — — EP claimed