SCHEMBL23958739

SCHEMBL23958739

CC(C)(O)c1cc(C(CNC=O)C2CC2)nc(-c2ccc(C(F)(F)F)cc2)c1F

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 4/20 0.34
PDE2A O00408 4/20 0.32
CFTR P13569 3/20 0.32
TRPV1 Q8NER1 2/20 0.32
SLC34A1 Q06495 1/20 0.32
CKS1B P61024 1/20 0.31
SKP1 P63208 1/20 0.31
SKP2 Q13309 1/20 0.31
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
MDM2 Q00987 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
SCHEMBL23958587 0.82 CFTR (0.34) CFTR
SCHEMBL23958793 0.79 CFTR (0.35) CFTRSLC34A1
SCHEMBL23958775 0.76 ADRA1D (0.36) PDE2ACFTRMDM2
SCHEMBL23958893 0.76 MAPK1 (0.32)
SCHEMBL23958627 0.75 CFTR (0.36) CFTRSLC34A1
SCHEMBL23958856 0.73 PGR (0.30)
SCHEMBL23958778 0.73 DGAT1 (0.33)
SCHEMBL23958756 0.72 SLC34A1 (0.33) SLC34A1
SCHEMBL23958709 0.71 FFAR1 (0.31)
SCHEMBL23958741 0.69 TACR3 (0.35) MERTK

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