SCHEMBL6582022

SCHEMBL6582022

O=[N+]([O-])c1ccc2c(c1)nc(/C=C/c1ccccc1)n2-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 1/20 0.50
NFE2L2 Q16236 1/20 0.49

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
SCHEMBL6582029 1.00 MEN1 (0.55) MEN1KMT2AALDH1A1NFE2L2
SCHEMBL6832723 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1NFE2L2
SCHEMBL6832721 0.85 MEN1 (0.46) MEN1KMT2AALDH1A1NFE2L2
SCHEMBL6099735 0.80 MEN1 (0.77) MEN1KMT2AALDH1A1
SCHEMBL6099740 0.80 MEN1 (0.77) MEN1KMT2AALDH1A1
SCHEMBL8551282 0.78 PDE10A (0.54) MEN1KMT2AALDH1A1
SCHEMBL8551275 0.78 PDE10A (0.54) MEN1KMT2AALDH1A1
SCHEMBL6234925 0.78 ALDH1A1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL6582603 0.78 MAPT (0.50) MEN1KMT2AALDH1A1
SCHEMBL6585280 0.78 ALDH1A1 (0.59) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP claimed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP claimed
JP-10168066-A None JP disclosed
EP-0846689-B1 Benzimidazole compounds PFIZER (US) 2004-01-14 EP disclosed
JP-H10168066-A BENZIMIDAZOLE COMPOUND PFIZER PHARMACEUT INC 1998-06-23 JP disclosed
EP-0846689-A1 Benzimidazole compounds PFIZER INC. (US) 1998-06-10 EP disclosed