SCHEMBL4493743

SCHEMBL4493743

CCc1c(C(=O)O)c(C=O)n(Cc2ccccc2)c1-c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.39
GRIA4 P48058 1/20 0.39
PPARG P37231 3/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CNR1 P21554 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 1/20 0.35
VDR P11473 1/20 0.35
HTT P42858 2/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
PLCG1 P19174 1/20 0.35
PAX8 Q06710 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
SCHEMBL4488093 0.84 VDR (0.40) PPARGALDH1A1MAPTMEN1KMT2A
SCHEMBL4504869 0.84 ALDH1A1 (0.42) PPARGALDH1A1MAPTMEN1KMT2A
SCHEMBL4492336 0.83 AR (0.47) GRIA2GRIA4ALDH1A1MEN1KMT2A
SCHEMBL4482567 0.81 PLA2G2A (0.43) ALDH1A1KMT2ATDP2NSD2PLCG1
SCHEMBL4494579 0.81 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4484664 0.80 CFTR (0.45) GRIA2GRIA4ALDH1A1LMNA
SCHEMBL4492331 0.77 LMNA (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4485664 0.76 KDM4E (0.40) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL4490747 0.75 PGR (0.43) PPARGALDH1A1MAPTMEN1KMT2A
SCHEMBL4485204 0.75 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ALMNA

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-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US claimed