SCHEMBL11436632

SCHEMBL11436632

Cc1cccc(C)c1NC(=O)C(C)C(C)N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
HSP90AA1 P07900 1/20 0.50
ANPEP P15144 1/20 0.47
DRD2 P14416 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CXCL8 P10145 1/20 0.46
PKM P14618 1/20 0.45
KMT2A Q03164 3/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
NFKB1 P19838 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
Tocainide SCHEMBL15761 0.85 ATM (0.57) ATMHSP90AA1ANPEPDRD2HTR2A
S-Tocainide SCHEMBL308742 0.85 ATM (0.57) ATMHSP90AA1ANPEPDRD2HTR2A
Tocainide SCHEMBL9614374 0.84 ATM (0.55) ATMHSP90AA1ANPEPDRD2HTR2A
Tocainide SCHEMBL122779 0.84 ATM (0.55) ATMHSP90AA1ANPEPDRD2HTR2A
Tocainide SCHEMBL4338155 0.82 ATM (0.54) ATMHSP90AA1ANPEPDRD2HTR2A
SCHEMBL12832472 0.81 ATM (0.60) ATMHSP90AA1ANPEPDRD2HTR2A
Tocainide SCHEMBL27874301 0.81 ATM (0.53) ATMHSP90AA1ANPEPDRD2HTR2A
SCHEMBL6356591 0.79 ATM (0.58) ATMHSP90AA1ANPEPDRD2HTR2A
SCHEMBL6717081 0.78 ANPEP (0.57) ATMHSP90AA1ANPEPDRD2HTR2A
SCHEMBL6718778 0.78 ANPEP (0.57) ATMHSP90AA1ANPEPDRD2HTR2A

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-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 US claimed