SCHEMBL8034522

SCHEMBL8034522

CNc1nc(-c2ccc(Cl)cc2)nc(C(C)C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
FABP3 P05413 1/20 0.45
FABP4 P15090 1/20 0.45
FABP5 Q01469 1/20 0.45
KDM4E B2RXH2 4/20 0.45
RXRA P19793 3/20 0.42
NR4A2 P43354 3/20 0.42
PDE10A Q9Y233 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
ADK P55263 1/20 0.39
TP53 P04637 3/20 0.38

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
SCHEMBL8036843 0.86 RXRA (0.45) NPSR1HPGDTSHRFABP3FABP4
SCHEMBL8040520 0.84 NPSR1 (0.43) NPSR1HPGDTSHRFABP3FABP4
SCHEMBL8035080 0.83 TSHR (0.47) NPSR1HPGDTSHRKDM4ERXRA
SCHEMBL4014246 0.79 MEN1 (0.46) NPSR1HPGDTSHRFABP3FABP4
SCHEMBL4011470 0.79 FABP3 (0.45) NPSR1HPGDTSHRFABP3FABP4
SCHEMBL4015161 0.78 ATM (0.54) NPSR1HPGDTSHRFABP3FABP4
SCHEMBL8032359 0.76 FABP3 (0.43) NPSR1HPGDTSHRFABP3FABP4
SCHEMBL4008510 0.76 FABP3 (0.43) NPSR1HPGDTSHRFABP3FABP4
SCHEMBL4008885 0.74 FABP3 (0.41) NPSR1HPGDFABP3FABP4FABP5
SCHEMBL8041730 0.74 NPSR1 (0.59) NPSR1HPGDTSHRFABP3FABP4

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-2009080242-A1 SUBSTITUTED 4-AMINOPYRIMIDINE-5-CARBOXYLIC ACID AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-07-02 WO disclosed