SCHEMBL21995408

SCHEMBL21995408

CCCCOC(=O)N1Cc2[nH]nc(I)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
CCNA2 P20248 6/20 0.35
CDK2 P24941 6/20 0.35
CCNA1 P78396 6/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
AURKA O14965 3/20 0.34
CCNB2 O95067 2/20 0.33
CCNE2 O96020 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNE1 P24864 2/20 0.33
MAPK1 P28482 2/20 0.33
GSK3B P49841 2/20 0.33
CDK5 Q00535 2/20 0.33
CDK5R1 Q15078 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33

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
SCHEMBL30044501 0.75 MAPK1 (0.43) SMN1; SMN2HRH2HRH1MAPK1
SCHEMBL34473620 0.74 LMNA (0.42) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL21994935 0.73 LMNA (0.43) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL21995304 0.73 CCNA2 (0.39) CCNA2CDK2CCNA1AURKAKMT2A
SCHEMBL12811458 0.72 LMNA (0.40) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL1396142 0.71 LMNA (0.56) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL30054187 0.70 LMNA (0.54) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL29574115 0.69 LMNA (0.42) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL29689830 0.68 LMNA (0.43) LMNAPOLBSMN1; SMN2HRH2HRH1
SCHEMBL31549252 0.67 LMNA (0.48) LMNAPOLBSMN1; SMN2HRH2HRH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3887371-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-10-06 EP disclosed
WO-2020109191-A1 ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2020-06-04 WO disclosed