SCHEMBL11180207

SCHEMBL11180207

CCCCCCCCOC(=NC#N)NCCSCc1[nH]cnc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATP4A P20648 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ATP4B P51164 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SLC47A2 Q86VL8 1/20 0.38
▸ SLC22A8 Q8TCC7 1/20 0.38
▸ SLC47A1 Q96FL8 1/20 0.38

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
SCHEMBL11173843 0.99 LMNA (0.39) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11183005 0.89 HRH2 (0.43) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11207234 0.82 MEN1 (0.39) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11180201 0.80 LMNA (0.36) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11180206 0.80 LMNA (0.36) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11005661 0.80 CYP3A4 (0.51) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11173820 0.79 LMNA (0.37) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11173837 0.79 LMNA (0.37) LMNASMN1; SMN2HRH2MEN1SLC22A2
SCHEMBL11006349 0.77 HRH2 (0.43) LMNASMN1; SMN2HRH2MEN1SLC22A2
Cimetidine SCHEMBL11283011 0.77 HRH2 (0.48) LMNASMN1; SMN2HRH2MEN1SLC22A2

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 1 patent. 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 disclosed
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