SCHEMBL4008874

SCHEMBL4008874

CC(C)Oc1nc(-c2ccc(Cl)cc2)nc(C2CC2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
PDE4B Q07343 3/20 0.42
PDE4D Q08499 3/20 0.42
CNR1 P21554 1/20 0.40
NPSR1 Q6W5P4 3/20 0.38
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC6A3 Q01959 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
IDO1 P14902 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
SCHEMBL8022478 0.89 ATM (0.46) ATMPDE4BPDE4DCNR1NPSR1
SCHEMBL8040753 0.87 FABP4 (0.46) ATMFABP4FABP5PDE4BPDE4D
SCHEMBL4009791 0.85 FABP4 (0.41) ATMFABP4FABP5PDE4BPDE4D
SCHEMBL4008876 0.84 ATM (0.48) ATMFABP4FABP5PDE4BPDE4D
SCHEMBL4006528 0.84 FABP4 (0.43) FABP4FABP5PDE4BPDE4DKDM4E
SCHEMBL4009406 0.82 FABP4 (0.42) FABP4FABP5PDE4BPDE4DCNR1
SCHEMBL4016761 0.82 ATM (0.55) ATMFABP4NPSR1HPGDTSHR
SCHEMBL4014816 0.81 ATM (0.45) ATMPDE4BPDE4DCNR1NPSR1
SCHEMBL4015161 0.81 ATM (0.54) ATMFABP4FABP5CNR1NPSR1
SCHEMBL8038617 0.79 ATM (0.52) ATMCNR1NPSR1HPGDTSHR

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