SCHEMBL3365928

SCHEMBL3365928

Cc1ccc(C(=O)C(Br)Br)c(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.44
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
HSD11B1 P28845 1/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL1922319 0.86 NFE2L2 (0.42) NFE2L2HTTKMT2ASMN1; SMN2TAS1R3
SCHEMBL3362703 0.84 MEN1 (0.49) HTTKMT2ASMN1; SMN2NPC1MAPT
SCHEMBL10845894 0.82 NFE2L2 (0.45) NFE2L2HTTKMT2ASMN1; SMN2TAS1R3
SCHEMBL5716706 0.82 TAS1R3 (0.46) NFE2L2HTTKMT2ASMN1; SMN2TAS1R3
SCHEMBL3645967 0.80 NFE2L2 (0.44) NFE2L2HTTKMT2ASMN1; SMN2TAS1R3
SCHEMBL19328370 0.79 HSD11B1 (0.42) NFE2L2HTTKMT2ASMN1; SMN2TAS1R3
SCHEMBL3813015 0.79 NFE2L2 (0.48) NFE2L2HTTKMT2ASMN1; SMN2HSD11B1
SCHEMBL13494353 0.78 NFE2L2 (0.42) NFE2L2HTTKMT2ASMN1; SMN2TAS1R3
SCHEMBL9064056 0.78 NFE2L2 (0.42) NFE2L2HTTKMT2ASMN1; SMN2TAS1R3
SCHEMBL6063693 0.77 POLB (0.41) HTTKMT2ASMN1; SMN2MAPK1TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed