SCHEMBL28909155

SCHEMBL28909155

CC(C)(O)c1cc(C(=CF)C(F)F)nc(-c2ccc(F)cc2)c1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
TNIK Q9UKE5 3/20 0.31
SLC34A1 Q06495 2/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL28909138 0.88 CFTR (0.34) CFTRCNR1CNR2TNIK
SCHEMBL23958680 0.79 CFTR (0.35) CFTRCNR1CNR2SLC34A1CYP11B1
SCHEMBL30007930 0.79 CFTR (0.35) CFTRCNR1CNR2SLC34A1CYP11B1
SCHEMBL23958839 0.77 CFTR (0.39) CFTRCNR1CNR2SLC34A1CYP11B1
SCHEMBL30007319 0.77 ADORA2A (0.40) CFTRCNR1CNR2SLC34A1CYP11B1
SCHEMBL23930153 0.77 ADORA2A (0.40) CFTRCNR1CNR2SLC34A1CYP11B1
SCHEMBL28909106 0.77 SLC34A1 (0.32) CFTRSLC34A1
SCHEMBL28909212 0.76
SCHEMBL23958746 0.76 CYP11B1 (0.34) CFTRCNR1CNR2TNIKSLC34A1
SCHEMBL30006751 0.76 CYP11B1 (0.34) CFTRCNR1CNR2TNIKSLC34A1

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
CN-115461336-A RSV inhibiting 3-substituted quinoline and cinnoline derivatives 爱尔兰詹森科学公司 2022-12-09 CN disclosed