SCHEMBL12336822

SCHEMBL12336822

Cc1[nH]c(/C=C2\C(=O)Nc3ccc([S+](C)[O-])c(C)c32)c(C)c1C(=O)NCCN

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA1 Q13131 10/20 0.63
PRKAA2 P54646 9/20 0.63
KDR P35968 14/20 0.55
PDGFRB P09619 9/20 0.55
EGFR P00533 4/20 0.55
LRRK2 Q5S007 2/20 0.55
PDGFRA P16234 2/20 0.55
TLK2 Q86UE8 3/20 0.51
FGFR1 P11362 6/20 0.50
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC9 Q9UKV0 2/20 0.49
HDAC5 Q9UQL6 2/20 0.49

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
SCHEMBL15202693 0.92 KDR (0.56) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL12335805 0.88 KDR (0.70) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL12335933 0.84 PRKAA1 (0.76) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL12335806 0.80 KDR (0.43) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL12335817 0.78 PRKAA1 (0.77) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL29856752 0.77 PRKAA1 (1.00) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL2116298 0.77 PRKAA1 (1.00) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL28427292 0.77 PRKAA1 (1.00) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL12335816 0.76 PRKAA1 (0.75) PRKAA1PRKAA2KDRPDGFRBEGFR
SCHEMBL12335811 0.76 PRKAA1 (0.77) PRKAA1PRKAA2KDRPDGFRBEGFR

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