SCHEMBL11021228

SCHEMBL11021228

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 4/20 0.54
▸ NPBWR1 P48145 12/20 0.51
▸ RAB9A P51151 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ HTT P42858 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ NFKB1 P19838 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ NFKB2 Q00653 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ RELA Q04206 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.51
▸ UBA2 Q9UBT2 1/20 0.51
▸ CHEK2 O96017 1/20 0.47
▸ 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
SCHEMBL11021215 0.93 AMY1A (0.45) AMY1ANPBWR1RAB9ANPC1MAPT
SCHEMBL11020391 0.91 AMY1A (0.60) AMY1ANPBWR1RAB9ANPC1MAPT
SCHEMBL11020385 0.84 AMY1A (0.50) AMY1ANPBWR1RAB9ANPC1MAPT
SCHEMBL11017857 0.83 ALDH1A1 (0.46) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL11018596 0.82 TP53 (0.54) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL11018831 0.82 TOP1 (0.46) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL11018206 0.81 CHEK2 (0.61) CHEK2
SCHEMBL11018042 0.80 CHEK2 (0.48) RAB9ANPC1MAPTSMN1; SMN2HTT
SCHEMBL10736446 0.79 TOP1 (0.41) RAB9ANPC1MAPTSMN1; SMN2NFKB1
SCHEMBL11022206 0.78 ABL1 (0.47) RAB9ANPC1MAPTSMN1; SMN2MEN1

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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