SCHEMBL12335817

SCHEMBL12335817

Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(C)(=O)=O)cc32)c(C)c1C(=O)NCCN

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 9/20 0.77
PRKAA2 P54646 8/20 0.77
LRRK2 Q5S007 2/20 0.67
KDR P35968 11/20 0.63
TLK2 Q86UE8 3/20 0.63
PDGFRB P09619 8/20 0.62
FGFR1 P11362 5/20 0.62
HDAC3 O15379 3/20 0.61
HDAC4 P56524 3/20 0.61
HDAC1 Q13547 3/20 0.61
HDAC7 Q8WUI4 3/20 0.61
HDAC2 Q92769 3/20 0.61
HDAC10 Q969S8 3/20 0.61
HDAC11 Q96DB2 3/20 0.61
HDAC8 Q9BY41 3/20 0.61
HDAC6 Q9UBN7 3/20 0.61
HDAC9 Q9UKV0 3/20 0.61
HDAC5 Q9UQL6 3/20 0.61
EGFR P00533 3/20 0.60
FLT3 P36888 3/20 0.60

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
SCHEMBL12335816 0.93 PRKAA1 (0.75) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL18328648 0.92 KDR (0.66) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL15202708 0.88 KDR (0.79) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL28427292 0.87 PRKAA1 (1.00) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL2116298 0.87 PRKAA1 (1.00) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL29856752 0.87 PRKAA1 (1.00) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL12335933 0.86 PRKAA1 (0.76) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL15202712 0.85 KDR (0.65) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL12335811 0.85 PRKAA1 (0.77) PRKAA1PRKAA2LRRK2KDRTLK2
SCHEMBL12335812 0.85 PRKAA1 (0.79) PRKAA1PRKAA2LRRK2KDRTLK2

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
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 WO disclosed