SCHEMBL8026809

SCHEMBL8026809

CC(C)Cc1nc(-c2ccc(Cl)cc2)nc(NCC2CC2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.43
VCP P55072 3/20 0.42
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 3/20 0.39
RXRA P19793 2/20 0.38
NR4A2 P43354 2/20 0.38
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE4B Q07343 2/20 0.37
PDE4D Q08499 2/20 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
SCHEMBL8039494 0.90 VCP (0.39) MDM2VCPNPSR1HPGDTSHR
SCHEMBL8034289 0.86 RXRA (0.43) NPSR1HPGDTSHRKDM4ERXRA
SCHEMBL8047253 0.86 ACP1 (0.43) NPSR1HPGDTSHRKDM4ERXRA
SCHEMBL8037053 0.84 KDM4E (0.52) MDM2VCPNPSR1HPGDTSHR
SCHEMBL8037126 0.83 PLA2G1B (0.41) NPSR1HPGDTSHRKDM4ERXRA
SCHEMBL8038572 0.82 NPSR1 (0.44) NPSR1HPGDTSHRKDM4ERXRA
SCHEMBL4009392 0.79 CNR1 (0.40) NAMPT
SCHEMBL4007857 0.77 FABP3 (0.45) NPSR1HPGDTSHRKDM4ERXRA
SCHEMBL8041741 0.75 NPSR1 (0.42) NPSR1HPGDTSHRKDM4ERXRA
SCHEMBL8040303 0.75 NPSR1 (0.42) MDM2NPSR1HPGDTSHRKDM4E

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