SCHEMBL10956532

SCHEMBL10956532

CCCCCNN1CC(C)=C(C(=O)c2ccc(N)c([N+](=O)[O-])c2)S1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.42
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ LMNA P02545 3/20 0.40
▸ CRHBP P24387 2/20 0.38
▸ CRHR2 Q13324 2/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ PKM P14618 1/20 0.35

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
SCHEMBL10954329 0.97 MEN1 (0.42) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL11008121 0.89 KMT2A (0.45) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL10954758 0.89 VCAM1 (0.46) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL10958066 0.86 VCAM1 (0.47) HCAR3MAPTKMT2ALMNASMN1; SMN2
SCHEMBL10956672 0.85 CRHBP (0.43) MAPTMEN1KMT2ALMNACRHBP
SCHEMBL10957087 0.84 ALDH1A1 (0.33) HCAR3SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL10960181 0.84 MAPT (0.47) MAPTMEN1KMT2ALMNACRHBP
SCHEMBL10957316 0.84 MAPT (0.42) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL10954328 0.81 MAPT (0.44) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL10953258 0.80 MEN1 (0.46) HCAR3MAPTMEN1KMT2ALMNA

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