SCHEMBL4007802

SCHEMBL4007802

CC(C)c1nc(-c2ccc(Cl)cc2)nc(OC2CCCC2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
FABP5 Q01469 1/20 0.40
CNR1 P21554 4/20 0.40
KMO O15229 5/20 0.37
PDE4B Q07343 3/20 0.37
PDE4D Q08499 3/20 0.37
PDE4A P27815 2/20 0.37
PDE4C Q08493 2/20 0.37
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
P2RX3 P56373 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
SCHEMBL8036895 0.86 MAPT (0.40) NPSR1ALDH1A1TP53
SCHEMBL8037711 0.85 KDM4E (0.47) ATMCNR1KMOPDE4BPDE4D
SCHEMBL4007805 0.85 CNR1 (0.41) ATMCNR1KMOPDE4BPDE4D
SCHEMBL4014246 0.82 MEN1 (0.46) ATMFABP3FABP4FABP5TSHR
SCHEMBL4007961 0.81 CNR1 (0.43) ATMFABP3FABP4FABP5CNR1
SCHEMBL4015161 0.81 ATM (0.54) ATMFABP3FABP4FABP5CNR1
SCHEMBL8044033 0.81 CNR1 (0.40) CNR1KMOPDE4BPDE4DSMN1; SMN2
SCHEMBL4008510 0.79 FABP3 (0.43) ATMFABP3FABP4FABP5TSHR
SCHEMBL4010115 0.79 MAPT (0.39) ATMCNR1TSHRNPSR1ALDH1A1
SCHEMBL4008885 0.77 FABP3 (0.41) ATMFABP3FABP4FABP5NPSR1

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