SCHEMBL23958855

SCHEMBL23958855

CC(C)C(CN)c1cc(C(C)(C)O)c(F)c(-c2ccc(F)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GCGR P47871 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TNIK Q9UKE5 1/20 0.31
FPR2 P25090 2/20 0.31
SCN9A Q15858 2/20 0.31
LMNA P02545 1/20 0.30
MAPK14 Q16539 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
SCHEMBL28909215 0.91 CFTR (0.38) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL23958769 0.88 CFTR (0.39) CFTRCNR2TNIKFPR2SCN9A
SCHEMBL26926330 0.85 CFTR (0.39) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL23958714 0.83 CFTR (0.40) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL23958763 0.83 CFTR (0.40) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL23958626 0.83 CFTR (0.40) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL23958627 0.81 CFTR (0.36) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL30692523 0.80 CFTR (0.38) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL25230841 0.79 CFTR (0.35) CFTRCNR2CNR1ALDH1A1L3MBTL1
SCHEMBL25234559 0.77 CFTR (0.36) CFTRCNR2CNR1ALDH1A1L3MBTL1

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 2 patents. 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
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed