SCHEMBL11158164

SCHEMBL11158164

C=CCNN1CC(C)=C(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.47
▸ MAPK1 P28482 5/20 0.43
▸ MAPT P10636 5/20 0.43
▸ HTT P42858 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 6/20 0.43
▸ RAF1 P04049 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ PAX8 Q06710 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ F2 P00734 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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
SCHEMBL10957316 0.89 MAPT (0.42) MAPTGAAALDH1A1LMNAHPGD
SCHEMBL11006724 0.88 VCAM1 (0.51) VCAM1MAPK1MAPTHTTGAA
SCHEMBL10957664 0.85 MAPT (0.48) VCAM1MAPK1MAPTHTTGAA
SCHEMBL10955056 0.85 VCAM1 (0.54) VCAM1MAPK1MAPTHTTGAA
SCHEMBL10958066 0.85 VCAM1 (0.47) VCAM1MAPK1MAPTHTTGAA
SCHEMBL10954758 0.84 VCAM1 (0.46) VCAM1MAPK1MAPTHTTGAA
SCHEMBL11159297 0.80 VCAM1 (0.53) VCAM1MAPK1MAPTHTTGAA
Hydrochloric Acid SCHEMBL10954057 0.78 CCNA2 (0.34) HPGD
SCHEMBL11004604 0.77 VCAM1 (0.50) VCAM1MAPK1MAPTHTTGAA
SCHEMBL10952595 0.77 VCAM1 (0.54) VCAM1MAPK1MAPTHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4386097-A Benzimidazoles, processes for their preparation and pharmaceutical preparations containing such compounds CIBA-GEIGY CORPORATION (US) 1983-05-31 — — US disclosed
US-4297365-A Benzimidazoles and pharmaceutical preparations containing such compounds CIBA-GEIGY CORPORATION (US) 1981-10-27 — — US disclosed
EP-0008047-A1 5(6)-(2-Amino-5-thiazoloyl)benzimidazole-2-carbamic acid esters and their salts, their preparation and use, and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1980-02-20 — — EP disclosed
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