SCHEMBL4011569

SCHEMBL4011569

CCc1nc(-c2ccc(Cl)cc2)nc(C2CCCC2)c1OC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.36
PDE4D Q08499 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTGDR Q13258 3/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.36
CNR1 P21554 1/20 0.36
ADORA3 P0DMS8 2/20 0.35
RXRA P19793 2/20 0.35
NR4A2 P43354 2/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ3 P48549 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 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
SCHEMBL4011568 0.83 FABP4 (0.42) PDE4BPDE4DTDP1L3MBTL1ADORA3
SCHEMBL8031870 0.80 SLC6A3 (0.42) PDE4BPDE4DL3MBTL1CNR1ADORA3
SCHEMBL4006533 0.80 PDE4B (0.39) PDE4BPDE4DL3MBTL1ADORA3ALDH1A1
SCHEMBL4009408 0.78 DHPS (0.39) PDE4BPDE4DCNR1ADORA3SMN1; SMN2
SCHEMBL4151852 0.77 ADORA3 (0.44) ADORA3ADORA1SMN1; SMN2ALDH1A1TP53
SCHEMBL4011472 0.77 MAPT (0.39) TDP1ADORA3RXRANR4A2SMN1; SMN2
SCHEMBL4007862 0.77 NAMPT (0.38) PDE4DTDP1ADORA3RXRANR4A2
SCHEMBL4005144 0.76 PPARA (0.39) PDE4DTDP1ADORA3RXRANR4A2
SCHEMBL4008876 0.76 ATM (0.48) PDE4BPDE4DCNR1ADORA3SMN1; SMN2
SCHEMBL4009793 0.75 NR1H4 (0.37) PDE4BPDE4DCNR1ATM

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-2009080248-A1 SUBSTITUTED 2-PHENYLPYRIMIDINE-5-CARBOXYLIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed