SCHEMBL10957665

SCHEMBL10957665

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.57
▸ ALDH1A1 P00352 5/20 0.57
▸ LMNA P02545 4/20 0.57
▸ MAPK1 P28482 3/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.57
▸ VCAM1 P19320 2/20 0.49
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ PAX8 Q06710 1/20 0.47
▸ F2 P00734 1/20 0.45
▸ HTT P42858 3/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP3A4 P08684 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
SCHEMBL11006729 0.89 LMNA (0.60) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL10956678 0.88 CCNA2 (0.44) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL10955062 0.85 MAPT (0.63) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL10958069 0.85 MAPT (0.56) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL11158198 0.85 ALDH1A1 (0.56) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL10954761 0.84 ALDH1A1 (0.55) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL11159298 0.81 MAPT (0.63) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL10954897 0.78 ADORA2A (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11004609 0.78 VCAM1 (0.51) MAPTALDH1A1LMNAMAPK1NPSR1
SCHEMBL10952598 0.77 MAPT (0.63) MAPTALDH1A1LMNAMAPK1NPSR1

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