SCHEMBL4014246

SCHEMBL4014246

COc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
ATM Q13315 1/20 0.43
DHODH Q02127 2/20 0.41
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PKM P14618 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.38
RXRA P19793 1/20 0.37
NR4A2 P43354 1/20 0.37

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
SCHEMBL4015161 0.88 ATM (0.54) MEN1KMT2AFABP3FABP4FABP5
SCHEMBL4008510 0.86 FABP3 (0.43) MEN1KMT2AFABP3FABP4FABP5
SCHEMBL4008885 0.84 FABP3 (0.41) FABP3FABP4FABP5ATMDHODH
SCHEMBL8024769 0.84 MAPT (0.45) MEN1KMT2ANPSR1HPGDTSHR
SCHEMBL4007802 0.82 ATM (0.40) FABP3FABP4FABP5ATMNPSR1
SCHEMBL4014250 0.82 MEN1 (0.44) MEN1KMT2AATMNPSR1HPGD
SCHEMBL4007961 0.81 CNR1 (0.43) FABP3FABP4FABP5ATM
SCHEMBL8032359 0.81 FABP3 (0.43) MEN1KMT2AFABP3FABP4FABP5
SCHEMBL8034522 0.79 NPSR1 (0.47) MEN1KMT2AFABP3FABP4FABP5
SCHEMBL4011470 0.79 FABP3 (0.45) MEN1KMT2AFABP3FABP4FABP5

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