Sugi Predict

Sugi Predict / Compounds / SCHEMBL21796142

SCHEMBL21796142

SCHEMBL21796142

Cc1cc(C[N+](C)(C)C[C@H]2CC[C@H](NC(=O)c3c(-c4ccnn4-c4ccc(C#N)cc4)n(C)n(-c4cccc(C(F)(F)F)c4)c3=O)CC2)no1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 18/20 0.45
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
Hydrochloric Acid SCHEMBL19640022 1.00 ELANE (0.45) ELANEMEN1KMT2A
SCHEMBL21796129 0.91 ELANE (0.44) ELANE
Hydrochloric Acid SCHEMBL19640046 0.91 ELANE (0.44) ELANE
SCHEMBL21796137 0.91 ELANE (0.45) ELANE
Bromide SCHEMBL19639969 0.90 ELANE (0.45) ELANE
SCHEMBL21796143 0.90 ELANE (0.48) ELANE
SCHEMBL21796122 0.90 ELANE (0.45) ELANEMEN1KMT2A
Benzene SCHEMBL19640013 0.89 ELANE (0.48) ELANE
Bromide SCHEMBL19639989 0.89 ELANE (0.44) ELANEMEN1KMT2A
SCHEMBL19656243 0.87 ELANE (0.50) 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
EP-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 — — EP claimed