SCHEMBL8047253

SCHEMBL8047253

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CRHBP P24387 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
RXRA P19793 2/20 0.41
NR4A2 P43354 2/20 0.41
PDE10A Q9Y233 1/20 0.41
NAMPT P43490 1/20 0.39
LATS1 O95835 1/20 0.39
LATS2 Q9NRM7 1/20 0.39

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
SCHEMBL8034289 0.91 RXRA (0.43) MAPTHPGDNPSR1MEN1KMT2A
SCHEMBL8040303 0.89 NPSR1 (0.42) ACP1MAPTHPGDNPSR1MEN1
SCHEMBL8038572 0.87 NPSR1 (0.44) ACP1MAPTHPGDNPSR1MEN1
SCHEMBL8026809 0.86 MDM2 (0.43) MAPTHPGDNPSR1MEN1KMT2A
SCHEMBL4007857 0.82 FABP3 (0.45) MAPTHPGDNPSR1MEN1KMT2A
SCHEMBL8037126 0.81 PLA2G1B (0.41) ACP1MAPTHPGDNPSR1MEN1
SCHEMBL4009344 0.81 NPSR1 (0.39) ACP1MAPTHPGDNPSR1MEN1
SCHEMBL8041741 0.80 NPSR1 (0.42) MAPTHPGDNPSR1MEN1KMT2A
SCHEMBL8031087 0.78 ATM (0.51) MAPTHPGDNPSR1MEN1KMT2A
SCHEMBL8024898 0.77 MAPT (0.40) MAPTHPGDNPSR1MEN1KMT2A

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