SCHEMBL4720515

SCHEMBL4720515

CNC(=O)N1CCN(c2ccc(C(F)(F)F)c(-n3nc(-c4cc(OC)cc(OC)c4)c4c(c3=O)CCC4)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP2C9 P11712 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
EGFR P00533 2/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35

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
SCHEMBL4723702 0.91 ALK (0.40) LMNAMAPTGAASMN1; SMN2CYP2C9
SCHEMBL4724509 0.89 PDE4A (0.41) LMNAMAPTSMN1; SMN2PDE4APDE4B
SCHEMBL4724195 0.89 F10 (0.42) MAPTALDH1A1PDE4APDE4BPDE4C
SCHEMBL4722495 0.88 F10 (0.44) MAPTHSD17B10CYP2C9ALDH1A1NPSR1
SCHEMBL4722762 0.86 F10 (0.39) MAPTGAASMN1; SMN2HSD17B10CYP2C9
SCHEMBL4721533 0.86 NOTUM (0.39) MAPTSMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL4721093 0.85 PDE4A (0.37) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL4722787 0.85 NOTUM (0.48) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL4722706 0.85 NOTUM (0.48) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL4719505 0.85 PDE4A (0.35) MAPTSMN1; SMN2PDE4APDE4BPDE4C

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