SCHEMBL4623458

SCHEMBL4623458

CCCn1c(=O)[nH]c(=O)c2ncn(CC)c21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.63
PDE4B Q07343 10/20 0.63
PDE4C Q08493 10/20 0.63
PDE4D Q08499 10/20 0.63
ADORA2A P29274 8/20 0.63
BRD4 O60885 4/20 0.53
BRD2 P25440 2/20 0.53
BRD3 Q15059 2/20 0.53
BRDT Q58F21 2/20 0.53
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
ADORA2B P29275 3/20 0.48
ADORA3 P0DMS8 2/20 0.48
HPGD P15428 1/20 0.48
ADORA1 P30542 1/20 0.48
BLM P54132 1/20 0.48
PDE3A Q14432 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PDE1A P54750 1/20 0.46

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
SCHEMBL4626797 0.91 BRD4 (0.65) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6251096 0.90 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3990425 0.88 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4796600 0.82 PDE4A (0.47) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL8358995 0.80 PDE4A (0.44) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL4621714 0.80 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL27175954 0.79 HSD17B10 (0.48) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3115743 0.78 ALDH1A1 (0.51) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL190991 0.78 ALDH1A1 (0.53) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381257 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904020-A2 NEW SLIMMING COSMETIC COMPOSITIONS Sederma S.A.S. (FR) 2008-04-02 EP disclosed
WO-2007010478-A2 SLIMMING COSMETIC COMPOSITIONS SEDERMA (FR) 2007-01-25 WO disclosed