SCHEMBL4015161

SCHEMBL4015161

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.54
FABP3 P05413 1/20 0.44
FABP4 P15090 1/20 0.44
FABP5 Q01469 1/20 0.44
NPSR1 Q6W5P4 3/20 0.41
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RXRA P19793 1/20 0.36
NR4A2 P43354 1/20 0.36
FFAR1 O14842 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL4014246 0.88 MEN1 (0.46) ATMFABP3FABP4FABP5NPSR1
SCHEMBL4016761 0.86 ATM (0.55) ATMFABP3FABP4NPSR1HPGD
SCHEMBL4008510 0.85 FABP3 (0.43) ATMFABP3FABP4FABP5NPSR1
SCHEMBL8030927 0.84 ATM (0.46) ATMNPSR1HPGDTSHRKDM4E
SCHEMBL4008885 0.83 FABP3 (0.41) ATMFABP3FABP4FABP5NPSR1
SCHEMBL4007961 0.83 CNR1 (0.43) ATMFABP3FABP4FABP5CNR1
SCHEMBL4015164 0.82 ATM (0.52) ATMFABP3FABP4FABP5NPSR1
SCHEMBL8038617 0.82 ATM (0.52) ATMNPSR1HPGDTSHRKDM4E
SCHEMBL8031087 0.81 ATM (0.51) ATMNPSR1HPGDTSHRKDM4E
SCHEMBL4007802 0.81 ATM (0.40) 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