SCHEMBL11021215

SCHEMBL11021215

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 3/20 0.45
▸ SNCA P37840 1/20 0.45
▸ NPBWR1 P48145 9/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.39

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
SCHEMBL11021228 0.93 AMY1A (0.54) AMY1ASNCANPBWR1MEN1KMT2A
SCHEMBL11020385 0.91 AMY1A (0.50) AMY1ASNCANPBWR1MEN1KMT2A
SCHEMBL11020391 0.84 AMY1A (0.60) AMY1ANPBWR1MEN1KMT2ALMNA
SCHEMBL11017854 0.83 MAOB (0.43) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL11018593 0.82 TP53 (0.46) LMNAMAPTNPC1RAB9ANFKB1
SCHEMBL11018823 0.82 TOP1 (0.40) LMNAMAPTNPC1RAB9ANFKB1
SCHEMBL11018199 0.81 CHEK2 (0.51) CHEK2
SCHEMBL11018034 0.80 RHEB (0.39) MEN1KMT2ALMNAMAPTHTT
SCHEMBL9634582 0.79 PDE5A (0.40) LMNAMAPTNPC1RAB9ANFKB1
SCHEMBL10736446 0.79 TOP1 (0.41) LMNAMAPTNPC1RAB9ANFKB1

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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