SCHEMBL23958642

SCHEMBL23958642

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.38
CNR2 P34972 4/20 0.34
CNR1 P21554 3/20 0.34
TNIK Q9UKE5 1/20 0.33
MAPK14 Q16539 4/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
TNF P01375 1/20 0.31
SLC34A1 Q06495 2/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL23958593 0.86 CFTR (0.39) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23930254 0.79 CFTR (0.33) CFTRCNR2CNR1MAPK14SLC34A1
SCHEMBL25686491 0.78 CFTR (0.36) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23930276 0.78 CFTR (0.36) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL23958821 0.78 CFTR (0.36) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL30007319 0.78 ADORA2A (0.40) CFTRCNR2CNR1MAPK14ADORA2A
SCHEMBL23930153 0.78 ADORA2A (0.40) CFTRCNR2CNR1MAPK14ADORA2A
SCHEMBL23958855 0.76 CFTR (0.38) CFTRCNR2CNR1TNIKMAPK14
SCHEMBL26926330 0.76 CFTR (0.39) CFTRCNR2CNR1
SCHEMBL23958591 0.75 CFTR (0.38) CFTRCNR2CNR1ADORA2AADORA1

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