SCHEMBL30765896

SCHEMBL30765896

CC(C)(C)OC(=O)Cn1c(-c2ccccc2)ncc(NCCc2ccc(C#N)cc2)c1=O.N#Cc1ccc(CCNc2cnc(-c3ccccc3)n(CC(=O)O)c2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.40
EP300 Q09472 5/20 0.38
CCNC P24863 2/20 0.38
CDK8 P49336 2/20 0.38
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
ABCB1 P08183 1/20 0.36
HPGD P15428 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CASP1 P29466 1/20 0.36
CREBBP Q92793 1/20 0.36
BCL2 P10415 1/20 0.36

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
SCHEMBL30765952 0.97 ELANE (0.41) ELANEEP300CCNCCDK8F2
SCHEMBL30766039 0.91 EP300 (0.44) ELANEEP300CCNCCDK8F2
SCHEMBL23460649 0.89 ELANE (0.47) ELANEF2KDM4EALDH1A1
SCHEMBL30765501 0.84 ELANE (0.44) ELANEF2KDM4EALDH1A1EGLN1
SCHEMBL30765994 0.83 ELANE (0.46) ELANEF2KDM4EALDH1A1EGLN1
SCHEMBL23461187 0.81 KDM4E (0.47) ELANEF2KDM4ECASP1
SCHEMBL30765554 0.79 KDM4E (0.44) ELANEF2KDM4EALDH1A1CASP1
SCHEMBL23461184 0.79 F2 (0.49) F2ABCB1HPGDABCG2
SCHEMBL30765457 0.79 ELANE (0.43) ELANEF2KDM4EALDH1A1EGLN1
SCHEMBL30765773 0.78 ELANE (0.41) ELANEF2KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568666-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Alexion Pharmaceuticals, Inc. (US) 2025-06-18 EP disclosed
WO-2024035686-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2024-02-15 WO disclosed