SCHEMBL11004604

SCHEMBL11004604

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.50
▸ MAPT P10636 7/20 0.45
▸ ALDH1A1 P00352 7/20 0.45
▸ MAPK1 P28482 5/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ RAF1 P04049 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HTT P42858 4/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ MITF O75030 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 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
SCHEMBL11003298 0.91 VCAM1 (0.51) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL11006724 0.89 VCAM1 (0.51) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL11006865 0.88 MAPT (0.44) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL10958066 0.79 VCAM1 (0.47) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL10954758 0.79 VCAM1 (0.46) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL11005918 0.78 CRHBP (0.45) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL10957664 0.78 MAPT (0.48) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL11158164 0.77 VCAM1 (0.47) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL10955056 0.77 VCAM1 (0.54) VCAM1MAPTALDH1A1MAPK1LMNA
SCHEMBL11008121 0.76 KMT2A (0.45) MAPTALDH1A1LMNAHPGDGAA

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
EP-0008047-B1 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) 1985-12-04 — — EP disclosed
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
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