SCHEMBL5779338

SCHEMBL5779338

CC(C)c1cccc(COc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RXFP1 Q9HBX9 1/20 0.53
GRM5 P41594 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA4 P43681 1/20 0.49
MAOB P27338 3/20 0.46
PTGS2 P35354 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
MAOA P21397 2/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL8288267 0.86 GRM5 (0.61) LMNAMAPTPKMRAB9ASMN1; SMN2
SCHEMBL14988594 0.78 TLR4 (0.63) LMNAMAPTPKMRAB9ASMN1; SMN2
SCHEMBL9721944 0.78 LMNA (0.56) LMNAMAPTPKMRAB9ASMN1; SMN2
SCHEMBL5779125 0.76 CYSLTR1 (0.62) LMNAMAPTSMN1; SMN2RXFP1
SCHEMBL19175217 0.75 MAOB (0.56) LMNAMAPTRAB9ASMN1; SMN2CHRNB2
SCHEMBL27588139 0.74 CHRNB2 (0.45) LMNAMAPTPKMRAB9ASMN1; SMN2
SCHEMBL4631758 0.74 CHRNB2 (0.60) LMNAMAPTGRM5CHRNB2CHRNA4
SCHEMBL8170687 0.73 MAPT (0.51) LMNAMAPTPKMRAB9ASMN1; SMN2
SCHEMBL28057927 0.73 MAPT (0.53) LMNAMAPTPKMRAB9ASMN1; SMN2
SCHEMBL12746091 0.72 CHRNB2 (0.62) LMNAMAPTGRM5CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1652839-A2 Drug efflux pump inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-05-03 EP disclosed
EP-1227084-B1 DRUG DISCHARGE PUMP INHIBITORS TRINE PHARMACEUTICALS INC (US) 2005-12-14 EP disclosed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP disclosed