SCHEMBL23958631

SCHEMBL23958631

CC(=O)NC(C)(C)c1c(F)c(-c2ccc(F)cc2)nc(C(O)(CN)C(F)(F)F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.37
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
FPR2 P25090 2/20 0.32
SCN9A Q15858 2/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
TGFBR1 P36897 2/20 0.32
CSNK1D P48730 1/20 0.32
CSNK1E P49674 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
PKM P14618 1/20 0.31
TP53 P04637 1/20 0.31
TGFBR2 P37173 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 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
SCHEMBL23958727 1.00 CFTR (0.37) CFTRMAPTLMNAFPR2SCN9A
SCHEMBL25686809 1.00 CFTR (0.37) CFTRMAPTLMNAFPR2SCN9A
SCHEMBL23958674 0.85 CFTR (0.34) CFTRMAPTLMNAALDH1A1MEN1
SCHEMBL23958789 0.84 CFTR (0.35) CFTRLMNAFPR2SCN9AMAPK14
SCHEMBL25686843 0.84 CFTR (0.35) CFTRLMNAFPR2SCN9AMAPK14
SCHEMBL25686838 0.84 CFTR (0.35) CFTRLMNAFPR2SCN9AMAPK14
SCHEMBL25686805 0.84 CFTR (0.37) CFTRMAPTSCN9AALDH1A1PKM
SCHEMBL23958689 0.84 CFTR (0.35) CFTRMAPTALDH1A1KDM4EHPGD
SCHEMBL30006775 0.84 CFTR (0.35) CFTRMAPTALDH1A1KDM4EHPGD
SCHEMBL23958643 0.84 CFTR (0.35) CFTRMAPTALDH1A1KDM4EHPGD

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