SCHEMBL23958976

SCHEMBL23958976

COc1cc(C(=O)NCC(c2cc(C(C)(C)O)c(F)c(-c3ccc(C4CC4)cc3)n2)C2CC2)cc(/C=C(/C)N)c1N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
DGAT1 O75907 1/20 0.30
CFTR P13569 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
SCHEMBL23958775 0.92 ADRA1D (0.36) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL23958782 0.88 CFTR (0.35) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL23958802 0.86 CFTR (0.34) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL23958812 0.84 CFTR (0.38) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL23958753 0.82 CFTR (0.32) CFTR
SCHEMBL23958792 0.81 CFTR (0.33) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL23958894 0.81 CFTR (0.34) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL23958652 0.80 LMNA (0.33) KDM4EALDH1A1POLBMAPTRECQL
SCHEMBL25698171 0.78 PDE4B (0.31)
SCHEMBL23958779 0.77 MAPT (0.33) KDM4EALDH1A1POLBMAPTRECQL

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