SCHEMBL11004609

SCHEMBL11004609

CCNc1nc(CC)c(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VCAM1 P19320 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 4/20 0.49
▸ MAPK1 P28482 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ NPSR1 Q6W5P4 3/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ HPGD P15428 3/20 0.48
▸ RAF1 P04049 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ HTT P42858 3/20 0.46
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ MITF O75030 2/20 0.42
▸ CCNA2 P20248 1/20 0.42

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
SCHEMBL11003299 0.91 VCAM1 (0.52) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11006729 0.88 LMNA (0.60) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11006867 0.88 CCNA2 (0.47) MAPTMAPK1LMNAHTTMEN1
SCHEMBL10958069 0.79 MAPT (0.56) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL10954761 0.78 ALDH1A1 (0.55) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11005921 0.78 MAPT (0.46) ALDH1A1MAPTLMNAHTTMEN1
SCHEMBL10957665 0.78 MAPT (0.57) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11158198 0.77 ALDH1A1 (0.56) VCAM1ALDH1A1MAPTMAPK1LMNA
SCHEMBL11034427 0.77 CCNA2 (0.54) ALDH1A1MAPTMAPK1LMNAHPGD
SCHEMBL10955062 0.76 MAPT (0.63) VCAM1ALDH1A1MAPTMAPK1LMNA

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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