SCHEMBL22551034

SCHEMBL22551034

CC(NC(=O)O)C(=O)N1CCC(c2nc(-c3ccncc3)[nH]c(=O)c2Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 3/20 0.39
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TLR9 Q9NR96 2/20 0.36
TLR8 Q9NR97 2/20 0.36
TLR7 Q9NYK1 2/20 0.36
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
KDM5A P29375 1/20 0.35
CCR1 P32246 5/20 0.34
KCNH2 Q12809 1/20 0.34
NAMPT P43490 1/20 0.34
PDE5A O76074 1/20 0.34
PDE9A O76083 1/20 0.34
PDE7A Q13946 1/20 0.34

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
SCHEMBL22551031 1.00 MBOAT4 (0.39) MBOAT4LMNATSHRSMN1; SMN2TLR9
SCHEMBL22551038 1.00 MBOAT4 (0.39) MBOAT4LMNATSHRSMN1; SMN2TLR9
SCHEMBL20011994 0.89 HRH2 (0.38) MBOAT4LMNATSHRSMN1; SMN2
SCHEMBL21853865 0.89 HRH2 (0.38) MBOAT4LMNATSHRSMN1; SMN2
SCHEMBL21853866 0.89 HRH2 (0.38) MBOAT4LMNATSHRSMN1; SMN2
SCHEMBL20012410 0.88 SMN1; SMN2 (0.39) LMNATSHRSMN1; SMN2TLR9TLR8
SCHEMBL22551039 0.87 CCR1 (0.45) MAPK11MAPK14CCR1
SCHEMBL20011995 0.87 PRMT5 (0.42) LMNATSHRSMN1; SMN2MAPK11MAPK14
SCHEMBL20012185 0.86 CYP3A4 (0.44) LMNATSHRSMN1; SMN2MAPK11MAPK14
SCHEMBL21853834 0.84 ALDH1A1 (0.40) LMNATSHRSMN1; SMN2MAPK11MAPK14

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
EP-3515903-B1 PREPARATION AND USES OF PYRIMIDINONE DERIVATIVES CANCER RESEARCH TECH LTD (GB) 2020-10-21 EP claimed