SCHEMBL19841963

SCHEMBL19841963

CC1(O)CCCCN(S(=O)(=O)c2cc(C(O)Nc3ccc(F)c(Cl)c3)ccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.48
▸ TP53 P04637 3/20 0.48
▸ HSD11B1 P28845 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATAD2 Q6PL18 1/20 0.38
▸ CECR2 Q9BXF3 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ ALOX12 P18054 2/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ CCR1 P32246 1/20 0.37

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
SCHEMBL19842039 0.83 LMNA (0.44) MAPTTP53NPC1RAB9ALMNA
SCHEMBL18084840 0.81 MAPT (0.66) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL20647684 0.80 MAPT (0.39) MAPTTP53LMNASMN1; SMN2ALOX12
SCHEMBL20647677 0.79 MAPT (0.46) MAPTTP53ATAD2CECR2LMNA
SCHEMBL20647806 0.79 MAPT (0.45) MAPTTP53ATAD2CECR2LMNA
SCHEMBL16903062 0.78 MAPT (0.64) MAPTTP53RAB9ALMNASMN1; SMN2
SCHEMBL19841959 0.78 MAPT (0.39) MAPTTP53HSD11B1ATAD2CECR2
SCHEMBL20647815 0.77 MAPT (0.47) MAPTTP53NPC1RAB9ALMNA
SCHEMBL19841965 0.76 HSD11B1 (0.43) MAPTTP53HSD11B1NPC1RAB9A
SCHEMBL20647771 0.76 ENPP2 (0.45) MAPTTP53RAB9ALMNASMN1; SMN2

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-9884831-B2 Azocane and azonane derivatives and methods of treating hepatitis B infections NOVIRA THERAPEUTICS, INC. (US) 2018-02-06 — — US disclosed
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