SCHEMBL10955470

SCHEMBL10955470

Cc1nc(N2CCCC2)sc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.98

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.98
▸ ALDH1A1 P00352 6/20 0.98
▸ MAPK1 P28482 4/20 0.98
▸ TDP1 Q9NUW8 3/20 0.98
▸ LMNA P02545 3/20 0.98
▸ NPSR1 Q6W5P4 1/20 0.98
▸ SMN1; SMN2 Q16637 4/20 0.67
▸ PKM P14618 1/20 0.67
▸ VCAM1 P19320 2/20 0.51
▸ F2 P00734 1/20 0.49
▸ RAF1 P04049 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ GFER P55789 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43

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
SCHEMBL10957712 0.88 ALDH1A1 (0.76) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL11441461 0.82 ALDH1A1 (0.74) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL10955062 0.78 MAPT (0.63) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL10952598 0.78 MAPT (0.63) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL11006729 0.76 LMNA (0.60) MAPTALDH1A1MAPK1TDP1LMNA
Hydrochloric Acid SCHEMBL11149610 0.76 ALDH1A1 (0.62) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL11159298 0.74 MAPT (0.63) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL10957665 0.73 MAPT (0.57) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL11158198 0.73 ALDH1A1 (0.56) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL10958069 0.73 MAPT (0.56) MAPTALDH1A1MAPK1TDP1LMNA

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 4 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
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
Send feedback