SCHEMBL11207232

SCHEMBL11207232

C=CCOC(=NCCSCc1[nH]cnc1C)NC#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ATP4A P20648 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ATP4B P51164 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SLC47A2 Q86VL8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37
▸ SLC47A1 Q96FL8 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
SCHEMBL11207229 1.00 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11183000 0.88 MEN1 (0.40) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11183003 0.88 MEN1 (0.40) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11173926 0.85 MEN1 (0.40) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11173930 0.85 MEN1 (0.40) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11173837 0.83 LMNA (0.37) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11173820 0.83 LMNA (0.37) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11180201 0.82 LMNA (0.36) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11180206 0.82 LMNA (0.36) CYP1A2CYP2D6CYP2C19MEN1SLC22A2
SCHEMBL11076576 0.82 HRH2 (0.44) CYP1A2CYP2D6CYP2C19MEN1SLC22A2

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
US-4413129-A FROM 4-METHYL-5-HYDROXYMETHYLIMIDAZOLE AND 2-AMINOETHANETHIOLSULFURIC ACID SOGO PHARMACEUTICAL COMPANY, LTD. (JP) 1983-11-01 — — US claimed
US-4413129-A FROM 4-METHYL-5-HYDROXYMETHYLIMIDAZOLE AND 2-AMINOETHANETHIOLSULFURIC ACID SOGO PHARMACEUTICAL COMPANY, LTD. (JP) 1983-11-01 — — US disclosed
US-4413129-A FROM 4-METHYL-5-HYDROXYMETHYLIMIDAZOLE AND 2-AMINOETHANETHIOLSULFURIC ACID SOGO PHARMACEUTICAL COMPANY, LTD. (JP) 1983-11-01 — — US disclosed
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