SCHEMBL15076799

SCHEMBL15076799

CCC1CN(S(=O)(=O)c2cc(C(=O)Nc3cc(F)c(F)c(Cl)c3)ccc2Cl)CCC1OS

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.46
TP53 P04637 5/20 0.46
ATAD2 Q6PL18 1/20 0.43
CECR2 Q9BXF3 1/20 0.43
LMNA P02545 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ENPP2 Q13822 1/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
CNR2 P34972 1/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL15277031 0.89 MAPT (0.48) MAPTTP53ATAD2CECR2LMNA
SCHEMBL15076619 0.86 LMNA (0.48) MAPTTP53LMNASMN1; SMN2ALDH1A1
SCHEMBL15076602 0.85 MAPT (0.50) MAPTTP53ATAD2CECR2LMNA
SCHEMBL15076402 0.82 MAPT (0.54) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL15076476 0.81 CYP3A4 (0.57) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL15076797 0.81 MAPT (0.51) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL15076398 0.80 MAPT (0.53) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL15076798 0.79 MAPT (0.49) MAPTTP53ATAD2CECR2LMNA
SCHEMBL19157176 0.79 MAPT (0.54) MAPTTP53LMNARAB9ASMN1; SMN2
SCHEMBL15076495 0.78 CYP1A2 (0.56) MAPTTP53LMNARAB9ASMN1; 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
WO-2013096744-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC. (US) 2013-06-27 WO disclosed