SCHEMBL8891307

SCHEMBL8891307

CCC(NC(=O)Cc1ccc(OC)c(S(=O)(=O)NC(=O)NC)c1)c1nccs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTPRB P23467 4/20 0.43
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 2/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.36
MAPK10 P53779 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CTSA P10619 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 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
SCHEMBL8892041 0.93 ALDH1A1 (0.48) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8892236 0.92 ALDH1A1 (0.40) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8891743 0.92 LMNA (0.45) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8894142 0.90 LMNA (0.48) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8894257 0.89 ALDH1A1 (0.37) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8891118 0.86 ALDH1A1 (0.36) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8890927 0.85 ALDH1A1 (0.46) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8894152 0.84 PTPRB (0.40) LMNAMAPK1SMN1; SMN2PTPRBPOLB
SCHEMBL8891702 0.83 ALDH1A1 (0.48) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1
SCHEMBL8891578 0.83 ALDH1A1 (0.39) LMNAMAPK1SMN1; SMN2PTPRBALDH1A1

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-5607976-A ANNTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed