SCHEMBL4014601

SCHEMBL4014601

CCCOc1nc(-c2ccc(Cl)cc2)nc(C2CC2)c1OC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.42
CNR1 P21554 3/20 0.37
SLC6A3 Q01959 1/20 0.37
IDO1 P14902 4/20 0.36
NAMPT P43490 1/20 0.36
PDE4B Q07343 3/20 0.36
PDE4D Q08499 3/20 0.36
TACR2 P21452 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SENP8 Q96LD8 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
SCHEMBL4009408 0.90 DHPS (0.39) DHPSCNR1NAMPTPDE4BPDE4D
SCHEMBL4014816 0.84 ATM (0.45) DHPSCNR1SLC6A3IDO1NAMPT
SCHEMBL8040909 0.83 CNR1 (0.43) DHPSCNR1SLC6A3NAMPTPDE4B
SCHEMBL4009406 0.81 FABP4 (0.42) DHPSCNR1NAMPTPDE4BPDE4D
SCHEMBL4006533 0.81 PDE4B (0.39) DHPSSLC6A3NAMPTPDE4BPDE4D
SCHEMBL4009793 0.78 NR1H4 (0.37) DHPSCNR1NAMPTPDE4BPDE4D
SCHEMBL8031734 0.74 SLC6A3 (0.44) CNR1SLC6A3IDO1NAMPTPDE4B
SCHEMBL4008876 0.74 ATM (0.48) CNR1SLC6A3NAMPTPDE4BPDE4D
SCHEMBL4014170 0.74 MAPT (0.43) DHPSNPC1ALDH1A1LMNANFKB1
SCHEMBL4010263 0.73 DHPS (0.41) DHPSCNR1NAMPTNPC1ALDH1A1

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