SCHEMBL11020385

SCHEMBL11020385

C#CCOc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 6/20 0.50
▸ NPBWR1 P48145 7/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ STAT1 P42224 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ SAE1 Q9UBE0 1/20 0.47
▸ UBA2 Q9UBT2 1/20 0.47
▸ SNCA P37840 1/20 0.45
▸ PDE2A O00408 1/20 0.41

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
SCHEMBL11020391 0.92 AMY1A (0.60) AMY1ANPBWR1MEN1NPC1RAB9A
SCHEMBL11021215 0.91 AMY1A (0.45) AMY1ANPBWR1MEN1NPC1RAB9A
SCHEMBL11021228 0.84 AMY1A (0.54) AMY1ANPBWR1MEN1NPC1RAB9A
SCHEMBL11018830 0.83 PDE2A (0.44) AMY1AMEN1NPC1RAB9AKMT2A
SCHEMBL11019245 0.82 CHEK2 (0.44) NPC1RAB9AMAPTPDE2APDGFRB
SCHEMBL11018202 0.81 PDE2A (0.43) AMY1AGAAPDE2ACHEK2
SCHEMBL11036642 0.81 PDE2A (0.41) AMY1APDE2ACHEK2
SCHEMBL11018765 0.81 SCD (0.41) NPC1RAB9ALMNANFKB1HTT
SCHEMBL11020236 0.81 CHEK2 (0.48) PDE2ACHEK2
SCHEMBL11020057 0.79 CHEK2 (0.46) PDE2ACHEK2

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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