SCHEMBL9160664

SCHEMBL9160664

COC(=O)CCc1nc2c([nH]1)c(=O)[nH]c(=O)n2CC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
PDE1A P54750 2/20 0.44
PDE1B Q01064 2/20 0.44
PDE1C Q14123 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
ALDH1A1 P00352 6/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MTOR P42345 1/20 0.37
TLR7 Q9NYK1 1/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL4623653 0.83 PDE5A (0.43) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL4622802 0.82 PDE5A (0.68) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL9646522 0.79 KDM4E (0.44) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL4796596 0.79 PDE1A (0.46) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL6234430 0.75 PDE5A (0.64) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL5646 0.73 PDE2A (0.61) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL3110928 0.72 PNP (0.48) PDE5AMEN1KMT2ATSHRALDH1A1
SCHEMBL19583186 0.72 KDM4E (0.43) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL272517 0.70 KDM4E (0.41) PDE5AMEN1KMT2APDE1APDE1B
SCHEMBL3860921 0.69 ALDH1A1 (0.65) CYP1A2CYP3A4CYP2C19ALDH1A1MAPK1

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 5 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
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 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