SCHEMBL5813872

SCHEMBL5813872

CCn1nc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
KLKB1 P03952 1/20 0.36
ELANE P08246 1/20 0.36
CTRB1 P17538 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL21960986 0.85 KDM4E (0.36) ALDH1A1SMN1; SMN2MAPTKDM4EF2
SCHEMBL21960873 0.82 KMT2A (0.35) ALDH1A1MAPTMEN1KMT2A
SCHEMBL610407 0.81 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2MAPTKDM4EF2
SCHEMBL23910436 0.81 ALDH1A1 (0.36) ALDH1A1MAPTKDM4EF2PLAU
SCHEMBL18546508 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL28974019 0.80 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2MAPTKDM4EF2
SCHEMBL20528938 0.79 KMT2A (0.40) ALDH1A1SMN1; SMN2MAPTLMNAAURKA
SCHEMBL9201826 0.78 AURKA (0.56) ALDH1A1KDM4ELMNAAURKARPS6KB1
SCHEMBL23115927 0.78 AURKA (0.39) ALDH1A1MAPTKDM4EAURKARPS6KB1
SCHEMBL1739608 0.78 AURKA (0.42) ALDH1A1SMN1; SMN2KDM4EAURKARPS6KB1

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-1633348-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B sb 1 /sb RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES Elan Pharmaceuticals, Inc. (US) 2006-03-15 EP disclosed
WO-2004098589-A1 4- BROMO - 5 - (2- CHLORO - BENZOYLAMINO) - 1H - PYRAZOLE - 3 - CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS BRADYKININ B1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES ELAN PHARMACEUTICALS, INC. (US) 2004-11-18 WO disclosed