SCHEMBL22763568

SCHEMBL22763568

Cc1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.66
CA2 P00918 7/20 0.66
STAT3 P40763 2/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
MAPT P10636 4/20 0.58
MEN1 O00255 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
HTT P42858 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
KCNQ3 O43525 2/20 0.54
KCNQ2 O43526 2/20 0.54
KCNE1 P15382 2/20 0.54
KCNQ1 P51787 2/20 0.54
TP53 P04637 3/20 0.53
KCNQ5 Q9NR82 1/20 0.53
POLB P06746 1/20 0.51

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
SCHEMBL19199071 0.85 CA1 (0.68) CA1CA2STAT3NPC1RAB9A
SCHEMBL8912404 0.83 MEN1 (0.69) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL17465708 0.80 MAPT (0.65) NPC1RAB9AMAPTMEN1ALDH1A1
SCHEMBL15613254 0.80 MAPT (0.54) CA1CA2STAT3NPC1RAB9A
SCHEMBL21623325 0.80 CA2 (0.61) CA1CA2STAT3NPC1RAB9A
SCHEMBL28261080 0.78 CA1 (0.73) CA1CA2STAT3NPC1RAB9A
SCHEMBL20779489 0.78 MAPT (0.52) MAPTMEN1ALDH1A1LMNAMAPK1
SCHEMBL14372417 0.78 CA1 (0.65) CA1CA2STAT3NPC1RAB9A
SCHEMBL21623209 0.77 CYP1A2 (0.54) CA1CA2STAT3NPC1RAB9A
SCHEMBL21623225 0.77 CA2 (0.57) CA1CA2STAT3NPC1RAB9A

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-2020247575-A1 HEPATITIS B ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2020-12-10 WO disclosed