SCHEMBL10954328

SCHEMBL10954328

CCCCNN1CC=C(C(=O)c2ccc(N)c([N+](=O)[O-])c2)S1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ LMNA P02545 4/20 0.43
▸ HCAR3 P49019 3/20 0.43
▸ GAA P10253 3/20 0.41
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL10957010 0.88 VCAM1 (0.50) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL10954329 0.83 MEN1 (0.42) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL10956532 0.81 HCAR3 (0.42) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL10956620 0.76 MAPT (0.49) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL28102683 0.74 MEN1 (0.66) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL11008121 0.72 KMT2A (0.45) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL12658567 0.72 HCAR3 (0.53) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL11006865 0.71 MAPT (0.44) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL11765445 0.71 LMNA (0.57) MAPTMEN1KMT2ALMNAHCAR3
SCHEMBL10958066 0.71 VCAM1 (0.47) MAPTKMT2ALMNAHCAR3GAA

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
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