SCHEMBL11020391

SCHEMBL11020391

C#CCOc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 7/20 0.60
▸ NPBWR1 P48145 11/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ HTT P42858 3/20 0.57
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ MEN1 O00255 2/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ GAA P10253 1/20 0.57
▸ STAT1 P42224 1/20 0.57
▸ SAE1 Q9UBE0 1/20 0.57
▸ UBA2 Q9UBT2 1/20 0.57
▸ CHEK2 O96017 1/20 0.48
▸ MMP2 P08253 1/20 0.47

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
SCHEMBL11020385 0.92 AMY1A (0.50) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL11021228 0.91 AMY1A (0.54) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL11021215 0.84 AMY1A (0.45) AMY1ANPBWR1NPC1MAPTRAB9A
SCHEMBL11018835 0.83 MEN1 (0.47) AMY1ANPC1MAPTRAB9AHTT
SCHEMBL11019250 0.82 CHEK2 (0.53) NPC1MAPTRAB9ACHEK2
SCHEMBL11018211 0.81 CHEK2 (0.47) AMY1ACHEK2
SCHEMBL11020242 0.81 CHEK2 (0.58) CHEK2
SCHEMBL11018770 0.81 KDM4E (0.47) MAPTHTTLMNACHEK2MMP2
SCHEMBL11020063 0.79 CHEK2 (0.56) CHEK2
SCHEMBL10733841 0.79 PDE2A (0.46) AMY1AMEN1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148431-A1 Benzimidazoles, their preparation, and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1985-07-17 — — EP disclosed
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