SCHEMBL4455947

SCHEMBL4455947

O=C(Nc1ccc(OC(F)(F)F)c(Br)c1)C(C(C(=O)Nc1ccc(OC(F)(F)F)c(Br)c1)n1cnc2cccc([N+](=O)[O-])c21)n1cnc2cccc([N+](=O)[O-])c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
TP53 P04637 1/20 0.38
CASP3 P42574 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
EPHX2 P34913 2/20 0.38
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
FGFR1 P11362 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4455944 0.83 SMN1; SMN2 (0.47) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3033046 0.83 SMN1; SMN2 (0.47) HTTMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4462954 0.76 FGFR1 (0.42) MEN1MAPTKMT2ANPSR1FGFR1
SCHEMBL3043306 0.72 MAPK1 (0.46) HTTMEN1MAPTKMT2AFGFR1
SCHEMBL3036275 0.68 KMT2A (0.45) HTTMEN1MAPTKMT2AFGFR1
SCHEMBL3039687 0.68 SMN1; SMN2 (0.52) HTTMEN1MAPTKMT2ATP53
SCHEMBL3043122 0.67 HPGD (0.50) HTTMEN1MAPTKMT2ATP53
SCHEMBL3035759 0.67 SMN1; SMN2 (0.44) HTTMEN1MAPTKMT2ATP53
SCHEMBL5804037 0.65 CYP1A2 (0.59) MAPTEPHX2HTR2AHTR2CSMN1; SMN2
SCHEMBL6160971 0.65 EPHX2 (0.55) HTTMEN1MAPTKMT2AEPHX2

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
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