SCHEMBL23958753

SCHEMBL23958753

C/C(N)=C/c1cc(C(=O)NCC(c2cc(C(C)(C)O)c(Cl)c(-c3ccc(F)cc3)n2)C2CC2)cc(OC2CC2)c1N

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
ACACB O00763 1/20 0.30

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
SCHEMBL23958782 0.94 CFTR (0.35) CFTR
SCHEMBL23958894 0.89 CFTR (0.34) CFTR
SCHEMBL23958976 0.82 KDM4E (0.31) CFTR
SCHEMBL23958775 0.82 ADRA1D (0.36) CFTR
SCHEMBL23958786 0.82 IRAK4 (0.32) CFTR
SCHEMBL23904706 0.81
SCHEMBL23958802 0.80 CFTR (0.34) CFTR
SCHEMBL23958792 0.78 CFTR (0.33) CFTR
SCHEMBL23958812 0.78 CFTR (0.38) CFTR
SCHEMBL23958990 0.77 CFTR (0.33) CFTR

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
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed