SCHEMBL23958626

SCHEMBL23958626

CC(C)(O)c1cc(C(CN)C(F)(F)F)nc(-c2ccc(F)cc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.40
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 6/20 0.33
CNR1 P21554 3/20 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
FPR2 P25090 1/20 0.31
SCN9A Q15858 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
TNIK Q9UKE5 1/20 0.31
LMNA P02545 1/20 0.30
AAK1 Q2M2I8 3/20 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
SCHEMBL23958763 1.00 CFTR (0.40) CFTRALDH1A1L3MBTL1CNR2CNR1
SCHEMBL23958714 0.93 CFTR (0.40) CFTRALDH1A1L3MBTL1CNR2CNR1
SCHEMBL23958876 0.92 CFTR (0.33) CFTRAAK1
SCHEMBL23958688 0.91 CFTR (0.32) CFTRCNR1AAK1
SCHEMBL23958681 0.91 CFTR (0.32) CFTRCNR1AAK1
SCHEMBL23958867 0.91 CFTR (0.32) CFTR
SCHEMBL23958682 0.91 XDH (0.34) CFTRALDH1A1KDM4EHPGDAAK1
SCHEMBL23958593 0.88 CFTR (0.39) CFTRCNR2CNR1ADORA2AADORA1
SCHEMBL26926330 0.85 CFTR (0.39) CFTRALDH1A1L3MBTL1CNR2CNR1
SCHEMBL23958855 0.83 CFTR (0.38) CFTRALDH1A1L3MBTL1CNR2CNR1

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