SCHEMBL8041741

SCHEMBL8041741

CCNc1nc(-c2ccc(Cl)cc2)nc(CC(C)C)c1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
KDM4E B2RXH2 3/20 0.40
MAPT P10636 4/20 0.38
TP53 P04637 1/20 0.38
CHRNA7 P36544 1/20 0.38
NAMPT P43490 1/20 0.38
RXRA P19793 1/20 0.38
NR4A2 P43354 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ADORA3 P0DMS8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CNR2 P34972 1/20 0.37
PGK1 P00558 1/20 0.37
PDE10A Q9Y233 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL8040303 0.91 NPSR1 (0.42) NPSR1HPGDTSHRKDM4EMAPT
SCHEMBL8034289 0.89 RXRA (0.43) NPSR1HPGDTSHRKDM4EMAPT
SCHEMBL8040669 0.88 NPSR1 (0.42) NPSR1HPGDTSHRKDM4EMAPT
SCHEMBL8039494 0.86 VCP (0.39) NPSR1HPGDTSHRKDM4EMAPT
SCHEMBL8032664 0.86 CNR2 (0.42) NPSR1HPGDTSHRKDM4EMAPT
SCHEMBL8038367 0.85 SMN1; SMN2 (0.40) NPSR1HPGDTSHRKDM4EMAPT
SCHEMBL8024878 0.82 NAMPT (0.40) NPSR1HPGDTSHRMAPTTP53
SCHEMBL8038516 0.82 NPSR1 (0.39) NPSR1HPGDTSHRKDM4ETP53
SCHEMBL8023419 0.81 NPSR1 (0.39) NPSR1HPGDTSHRKDM4EMAPT
SCHEMBL8031508 0.81 ATM (0.46) NPSR1HPGDTSHRKDM4EMAPT

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