SCHEMBL4649472

SCHEMBL4649472

Cc1nc2c(c(=O)n(C)c(=O)n2CC(C)C)n1Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.65
PDE1B Q01064 3/20 0.65
PDE1C Q14123 3/20 0.65
HPGD P15428 1/20 0.60
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
CASP1 P29466 2/20 0.55
TSHR P16473 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 2/20 0.54
HTT P42858 1/20 0.54
CASP7 P55210 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
ADORA1 P30542 1/20 0.54
RAB9A P51151 1/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDE2A O00408 2/20 0.50
BRAF P15056 1/20 0.50

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
SCHEMBL4622813 0.87 RAB9A (0.69) PDE1APDE1BPDE1CHPGDLMNA
SCHEMBL10829739 0.82 PDE1A (0.55) PDE1APDE1BPDE1CHPGDLMNA
SCHEMBL9708624 0.80 PDE1A (0.44) PDE1APDE1BPDE1CHPGDLMNA
SCHEMBL10993301 0.80 PDE1A (0.50) PDE1APDE1BPDE1CHPGDLMNA
SCHEMBL13789811 0.79 MAPK1 (0.77) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL4379838 0.79 TSHR (0.57) PDE1APDE1BPDE1CHPGDLMNA
SCHEMBL10830155 0.78 PDE1A (0.53) PDE1APDE1BPDE1CHPGDLMNA
SCHEMBL13789805 0.78 MAPK1 (0.79) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL1945463 0.78 ADORA3 (0.65) PDE1APDE1BPDE1CLMNASMN1; SMN2
SCHEMBL10830189 0.78 PDE1A (0.50) PDE1APDE1BPDE1CHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
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
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US disclosed
US-5459256-A Synthetic nucleosides; anticarcinogenic agents THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-10-17 US disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
EP-0502043-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR. LVMH RECH (FR) 1992-09-09 EP disclosed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO disclosed