SCHEMBL21796103

SCHEMBL21796103

Cn1c(-c2ccnn2-c2ccc(C#N)cc2)c(C(=O)NC(C)(C)c2ncc(C[N+](C)(C)C)o2)c(=O)n1-c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 14/20 0.46
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MGAT2 Q10469 1/20 0.33
POLB P06746 1/20 0.32
VNN1 O95497 1/20 0.32
P2RY1 P47900 1/20 0.32
CTSK P43235 1/20 0.32

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 SCHEMBL19639966 0.99 ELANE (0.46) ELANEMEN1KMT2AMGAT2POLB
SCHEMBL21796091 0.88 ELANE (0.47) ELANEMEN1KMT2AVNN1P2RY1
Benzene SCHEMBL19640005 0.88 ELANE (0.46) ELANEMEN1KMT2APOLBVNN1
Benzene SCHEMBL19639976 0.86 ELANE (0.46) ELANEMEN1KMT2A
SCHEMBL21796099 0.85 ELANE (0.45) ELANEMEN1KMT2A
Benzene SCHEMBL19640062 0.85 ELANE (0.44) ELANEMEN1KMT2A
SCHEMBL21796094 0.84 ELANE (0.44) ELANE
Benzene SCHEMBL19639999 0.84 ELANE (0.43) ELANE
SCHEMBL21796131 0.83 ELANE (0.47) ELANEMEN1KMT2A
SCHEMBL19656263 0.83 ELANE (0.48) ELANEMEN1KMT2ACTSK

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