SCHEMBL28960596

SCHEMBL28960596

CC(C)(O)c1c(F)c(C(=CF)C(F)F)nc(-c2ccc(F)cc2)c1F

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.32
TGFBR1 P36897 2/20 0.31
TNIK Q9UKE5 2/20 0.31

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
SCHEMBL28909106 0.89 SLC34A1 (0.32) CFTR
SCHEMBL28909194 0.80 KDM5B (0.35) LMNA
SCHEMBL28909138 0.77 CFTR (0.34) CFTRLMNATGFBR1TNIK
SCHEMBL25423458 0.76 CFTR (0.37) CFTRMEN1KMT2A
SCHEMBL23958662 0.73 ADORA2A (0.33) CFTRMEN1KMT2ATGFBR1TNIK
SCHEMBL30006948 0.73 ADORA2A (0.33) CFTRMEN1KMT2ATGFBR1TNIK
SCHEMBL23958637 0.73 SLC34A1 (0.35) MEN1KMT2A
SCHEMBL30007279 0.73 SLC34A1 (0.35) MEN1KMT2A
SCHEMBL28909155 0.70 CFTR (0.33) CFTRTNIK
SCHEMBL30007134 0.68 SLC34A1 (0.36)

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