SCHEMBL23958895

SCHEMBL23958895

COc1cc(C(=O)NCC(c2cc(C(C)(C)O)c(F)c(-c3ccccc3)n2)C(F)(F)F)cc2cc(C)nnc12

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 16/20 0.39
ACSS2 Q9NR19 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 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
SCHEMBL25697148 0.87 ACSS2 (0.33) PTGFRACSS2KDM4EALDH1A1
SCHEMBL23958806 0.83 CFTR (0.34) PTGFRACSS2KDM4EALDH1A1LMNA
SCHEMBL23958726 0.78 CFTR (0.35) PTGFRACSS2KDM4EALDH1A1LMNA
SCHEMBL25687479 0.77 CFTR (0.40) PTGFR
SCHEMBL25686197 0.77 CFTR (0.40) PTGFR
SCHEMBL25687478 0.77 CFTR (0.40) PTGFR
SCHEMBL23958886 0.77 CFTR (0.40) PTGFR
SCHEMBL25687518 0.77 CFTR (0.40) PTGFR
SCHEMBL30211296 0.77 CFTR (0.40) PTGFR
SCHEMBL25697304 0.76 ACSS2 (0.32) PTGFRACSS2KDM4E

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