SCHEMBL10954332

SCHEMBL10954332

CCCCNc1ncc(C(=O)c2ccc(N)c([N+](=O)[O-])c2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ HCAR3 P49019 3/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ RIPK1 Q13546 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK14 Q16539 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LCK P06239 2/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ CDK5 Q00535 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41

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
SCHEMBL10957016 0.88 NPC1 (0.51) MAPTMEN1KMT2AHCAR3RIPK1
SCHEMBL10954333 0.81 CLK2 (0.52) MAPTMEN1KMT2AHCAR3L3MBTL1
SCHEMBL10956535 0.78 CLK2 (0.48) MAPTMEN1KMT2AHCAR3RIPK1
SCHEMBL10956624 0.76 KMT2A (0.48) MAPTMEN1KMT2AHCAR3MAPK14
SCHEMBL28102683 0.73 MEN1 (0.66) MAPTMEN1KMT2AHCAR3GAA
SCHEMBL12658567 0.73 HCAR3 (0.53) MAPTMEN1KMT2AHCAR3L3MBTL1
Hydrochloric Acid SCHEMBL11293453 0.72 HCAR3 (0.52) MAPTMEN1KMT2AHCAR3L3MBTL1
SCHEMBL10954328 0.71 MAPT (0.44) MAPTMEN1KMT2AHCAR3GAA
SCHEMBL5568758 0.70 NPC1 (0.56) MAPTKMT2AMAPK14NPC1RAB9A
SCHEMBL15445145 0.70 NPC1 (0.43) MAPTMEN1KMT2AGAAMAPK14

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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