SCHEMBL4455944

SCHEMBL4455944

O=C(Cn1cnc2cccc([N+](=O)[O-])c21)Nc1ccc(OC(F)(F)F)c(Br)c1.O=C(Cn1cnc2cccc([N+](=O)[O-])c21)Nc1ccc(OC(F)(F)F)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 1/20 0.39
MAPT P10636 6/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
BCHE P06276 1/20 0.39
NPC1 O15118 1/20 0.39
GBA1 P04062 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
ABL1 P00519 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL3033046 1.00 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1PKMPOLBALDH1A1
SCHEMBL3039687 0.86 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1PKMALDH1A1HTT
SCHEMBL3043122 0.86 HPGD (0.50) SMN1; SMN2L3MBTL1PKMHTTMAPT
SCHEMBL3035759 0.83 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1PKMALDH1A1HTT
SCHEMBL4455947 0.83 HTT (0.38) SMN1; SMN2POLBALDH1A1HTTMAPT
SCHEMBL3048622 0.82 POLB (0.62) SMN1; SMN2L3MBTL1PKMPOLBALDH1A1
SCHEMBL3039180 0.81 POLB (0.52) SMN1; SMN2L3MBTL1PKMPOLBALDH1A1
SCHEMBL3037886 0.81 RXFP1 (0.57) SMN1; SMN2L3MBTL1PKMPOLBALDH1A1
SCHEMBL3042107 0.81 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1PKMPOLBALDH1A1
SCHEMBL3042892 0.81 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1PKMPOLBALDH1A1

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-2042490-A2 Benzimidazole derivatives as vanilloid receptor antagonists AstraZeneca AB (SE) 2009-04-01 EP disclosed
EP-1626964-B1 NEW BENZIMIDAZOLE DERIVATIVES ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
CN-1784387-A Novel benzimidazole derivatives ASTRAZENECA AB (SE) 2006-06-07 CN disclosed