SCHEMBL18883304

SCHEMBL18883304

CCCNC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.80
▸ TP53 P04637 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ GRM5 P41594 1/20 0.56
▸ KDM4E B2RXH2 1/20 0.52
▸ HCRTR1 O43613 1/20 0.52
▸ HCRTR2 O43614 1/20 0.52
▸ PTGER1 P34995 2/20 0.51
▸ ALDH1A1 P00352 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ RORC P51449 1/20 0.46

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
SCHEMBL15228309 0.91 MAPT (0.82) MAPTTP53POLBGRM5KDM4E
SCHEMBL16429075 0.90 MAPT (0.80) MAPTTP53POLBGRM5KDM4E
SCHEMBL16441166 0.88 MAPT (0.68) MAPTTP53POLBGRM5KDM4E
SCHEMBL15244857 0.87 MAPT (0.73) MAPTTP53POLBGRM5KDM4E
SCHEMBL15228617 0.87 MAPT (0.82) MAPTTP53POLBGRM5KDM4E
SCHEMBL29353512 0.87 MAPT (0.82) MAPTTP53POLBGRM5KDM4E
SCHEMBL18888491 0.85 MAPT (0.71) MAPTTP53POLBGRM5KDM4E
SCHEMBL18883299 0.84 MAPT (0.77) MAPTTP53POLBGRM5HCRTR1
SCHEMBL15228394 0.84 MAPT (0.70) MAPTTP53POLBGRM5KDM4E
SCHEMBL15228461 0.83 MAPT (0.72) MAPTTP53POLBGRM5PTGER1

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
US-9657013-B2 Inhibitors of hepatitis B virus covalently closed circular DNA formation and their method of use BARUCH S. BLUMBERG INSTITUTE (US) 2017-05-23 — — US disclosed
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