SCHEMBL30211307

SCHEMBL30211307

C=C(c1cc(C(C)C)c(F)c(-c2ccc(F)cc2)n1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
MAPK14 Q16539 4/20 0.33
MAPK13 O15264 2/20 0.33
MAPK12 P53778 2/20 0.33
MAPK11 Q15759 2/20 0.33
CFTR P13569 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
GCGR P47871 5/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX2 Q9UBL9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 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
SCHEMBL23958693 0.79 CFTR (0.40) MAPK14CFTRFPR2SCN9AL3MBTL1
SCHEMBL25686612 0.72 CFTR (0.40) CFTRFPR2SCN9AL3MBTL1KDM4E
SCHEMBL23958839 0.72 CFTR (0.39) MAPK14CFTR
SCHEMBL25686626 0.72 CFTR (0.37) CFTRPTGS1PTGS2SCN9ANPSR1
SCHEMBL23958838 0.69 CFTR (0.36) CFTR
SCHEMBL23905699 0.68 CFTR (0.32) CFTR
SCHEMBL23905463 0.68 CFTR (0.32) CFTR
SCHEMBL23904776 0.68 ADORA1 (0.31) CFTR
SCHEMBL23905629 0.68
SCHEMBL25423458 0.68 CFTR (0.37) MAPK14CFTRALDH1A1

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
EP-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed