SCHEMBL4722182

SCHEMBL4722182

CNC(=O)CC1CCN(c2ccc(C(F)(F)F)c(-n3nc(-c4cc(OC)cc(OC)c4)c4c(c3=O)CCC4)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 4/20 0.35
ALOX15 P16050 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
UGCG Q16739 1/20 0.34
RBP4 P02753 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MCL1 Q07820 2/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL4723325 1.00 NOTUM (0.36) NOTUMALDH1A1MAPTALOX15KDM4E
SCHEMBL4722304 1.00 NOTUM (0.36) NOTUMALDH1A1MAPTALOX15KDM4E
SCHEMBL4721342 0.94 PDE4A (0.34) MAPTUGCGPDE4APDE4BPDE4C
SCHEMBL4722930 0.90 PDE4A (0.37) NOTUMALDH1A1MAPTALOX15KDM4E
SCHEMBL4719265 0.89 NOTUM (0.33) NOTUMALDH1A1MAPTALOX15KDM4E
SCHEMBL4719267 0.89 NOTUM (0.33) NOTUMALDH1A1MAPTALOX15KDM4E
SCHEMBL4722787 0.89 NOTUM (0.48) NOTUMMAPTUGCGPDE4APDE4B
SCHEMBL4722706 0.89 NOTUM (0.48) NOTUMMAPTUGCGPDE4APDE4B
SCHEMBL4724435 0.89 NOTUM (0.34) NOTUMALDH1A1MAPTALOX15KDM4E
SCHEMBL4722235 0.89 NOTUM (0.34) NOTUMALDH1A1MAPTALOX15KDM4E

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed