SCHEMBL27554271

SCHEMBL27554271

O=P(O)(O)OP(=O)(O)On1cnc2cncnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.47
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
P2RX3 P56373 1/20 0.35
LTA4H P09960 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ENPP1 P22413 2/20 0.31
ENPP3 O14638 1/20 0.31
MKNK2 Q9HBH9 1/20 0.30
P2RY2 P41231 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL595230 0.99 FDPS (0.46) FDPSHDAC1HDAC6P2RX3LTA4H
SCHEMBL5989432 0.88 FDPS (0.51) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL13857852 0.87 FDPS (0.41) FDPSHDAC1HDAC6P2RX3ALDH1A1
SCHEMBL29139986 0.86 FDPS (0.47) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL7793075 0.82 FDPS (0.38) FDPSHDAC1HDAC6
SCHEMBL9104259 0.81 FDPS (0.39) FDPSP2RX3
SCHEMBL28139965 0.79 FGFR1 (0.43) FDPSP2RX3ALDH1A1CYP3A4ENPP1
SCHEMBL28272 0.79 FDPS (0.44) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL2676961 0.79 FDPS (0.44) FDPSHDAC1HDAC6LTA4HALDH1A1
SCHEMBL9103883 0.78 FDPS (0.41) FDPSHDAC1HDAC6

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
CN-1317053-A Method for production of sialylated oligosaccharides SYNSORB BIOTECH INC (CA) 2001-10-10 CN disclosed