SCHEMBL10954329

SCHEMBL10954329

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HCAR3 P49019 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 3/20 0.39
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ NPC1 O15118 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL10956532 0.97 HCAR3 (0.42) MEN1KMT2AMAPTHCAR3LMNA
SCHEMBL11008121 0.90 KMT2A (0.45) MEN1KMT2AMAPTHCAR3LMNA
SCHEMBL10958066 0.89 VCAM1 (0.47) KMT2AMAPTHCAR3LMNAGAA
SCHEMBL10957087 0.87 ALDH1A1 (0.33) HCAR3GAASMN1; SMN2NPC1ALDH1A1
SCHEMBL10954758 0.86 VCAM1 (0.46) MEN1KMT2AMAPTHCAR3LMNA
SCHEMBL10956672 0.85 CRHBP (0.43) MEN1KMT2AMAPTLMNAGAA
SCHEMBL10960181 0.85 MAPT (0.47) MEN1KMT2AMAPTLMNAGAA
SCHEMBL10957316 0.85 MAPT (0.42) MEN1KMT2AMAPTHCAR3LMNA
SCHEMBL10954328 0.83 MAPT (0.44) MEN1KMT2AMAPTHCAR3LMNA
SCHEMBL10955462 0.81 LMNA (0.37) MAPTHCAR3LMNAGAANPC1

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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