SCHEMBL23958838

SCHEMBL23958838

C=C(c1cc(C(C)(C)N=O)c(Cl)c(-c2ccc(F)cc2)n1)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL23958839 0.86 CFTR (0.39) CFTRSMN1; SMN2
SCHEMBL23958600 0.81 CFTR (0.36) CFTRSMN1; SMN2
SCHEMBL23958693 0.76 CFTR (0.40) CFTR
SCHEMBL30007930 0.73 CFTR (0.35) CFTRSMN1; SMN2
SCHEMBL23958680 0.73 CFTR (0.35) CFTRSMN1; SMN2
SCHEMBL25686612 0.72 CFTR (0.40) CFTRSMN1; SMN2
SCHEMBL25686626 0.71 CFTR (0.37) CFTRSMN1; SMN2
SCHEMBL30006751 0.71 CYP11B1 (0.34) CFTR
SCHEMBL23958746 0.71 CYP11B1 (0.34) CFTR
SCHEMBL30211307 0.69 HTR2A (0.34) 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