SCHEMBL995536

SCHEMBL995536

Cc1c(N)cc2ccccc2c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
TRPM4 Q8TD43 1/20 0.47
HPRT1 P00492 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
CYP1A2 P05177 2/20 0.41
NQO2 P16083 1/20 0.41
CYP2A6 P11509 1/20 0.41
CASP6 P55212 1/20 0.41
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
KEAP1 Q14145 1/20 0.40
NCF1 P14598 1/20 0.40
NQO1 P15559 1/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL12661581 0.84 PKM (0.50) PKMTRPM4HPRT1PTPN22ALDH1A1
SCHEMBL10535788 0.81 CASP6 (0.48) PKMTRPM4HPRT1PTPN22ALDH1A1
SCHEMBL4927955 0.81 TSHR (0.46) PKMHPRT1ALDH1A1HSD17B10HIF1A
SCHEMBL7128617 0.79 PTPN22 (0.45) PKMTRPM4HPRT1PTPN22ALDH1A1
SCHEMBL50068 0.79 TRPM4 (0.50) PKMTRPM4PTPN22ALDH1A1HSD17B10
SCHEMBL9233004 0.79 TRPM4 (0.61) TRPM4PTPN22ALDH1A1HSD17B10HIF1A
SCHEMBL30364741 0.79 TRPM4 (0.50) PKMTRPM4PTPN22ALDH1A1HSD17B10
SCHEMBL8655957 0.79 ALDH1A1 (0.44) PKMHPRT1ALDH1A1HSD17B10HIF1A
SCHEMBL29771816 0.79 TRPM4 (0.61) TRPM4PTPN22ALDH1A1HSD17B10HIF1A
SCHEMBL20036860 0.79 CYP1A2 (0.43) PKMHPRT1ALDH1A1HSD17B10HIF1A

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-2456306-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT Summa Health System (US) 2012-05-30 EP disclosed
WO-2011011317-A1 VITAMIN C AND VITAMIN K, AND COMPOSITIONS THEREOF FOR TREATMENT OF OSTEOLYSIS OR PROLONGATION OF PROSTHETIC IMPLANT SUMMA HEALTH SYSTEM (US) 2011-01-27 WO disclosed