SCHEMBL27772012

SCHEMBL27772012

COC(=O)C(C)N1CCSC(c2ccccc2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
KDM1A O60341 2/20 0.41
PRMT5 O14744 2/20 0.39
WDR77 Q9BQA1 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.39
RIPK1 Q13546 1/20 0.39
BRDT Q58F21 1/20 0.38
SLC6A3 Q01959 6/20 0.37
SLC6A2 P23975 3/20 0.37
SLC6A4 P31645 3/20 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
SCHEMBL14256496 0.79 BRD4 (0.42) BRD4KDM1APRMT5WDR77PDE10A
SCHEMBL10345991 0.73 FDPS (0.44) BRD4PRMT5WDR77ALDH1A1PDE10A
SCHEMBL6640316 0.73 BRD4 (0.49) BRD4PRMT5WDR77LMNAPDE10A
SCHEMBL27772029 0.71 BRD4 (0.60) BRD4MEN1ALDH1A1KMT2ABRDT
SCHEMBL26288716 0.70 MAPK1 (0.46) MEN1ALDH1A1LMNAKMT2A
SCHEMBL7396902 0.69 BRD4 (0.50) BRD4KDM1AALDH1A1RIPK1
SCHEMBL14256495 0.69 MAOA (0.49) MEN1ALDH1A1LMNAKMT2ASLC6A4
SCHEMBL20237186 0.68 BRD4 (0.52) BRD4PRMT5WDR77ALDH1A1PDE10A
SCHEMBL12993278 0.68 PDE10A (0.45) BRD4PDE10ARIPK1SLC6A3SLC6A2
SCHEMBL29164917 0.68 BRD4 (0.44) BRD4PRMT5WDR77ALDH1A1LMNA

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
CN-101610813-A Quinuclidinol derivatives as muscarinic receptor antagonist ASTRAZENECA AB (SE) 2009-12-23 CN disclosed