SCHEMBL5592363

SCHEMBL5592363

Cc1nc(-c2c(S(=O)(=O)O)ccc(N=Nc3ccc(S(=O)(=O)O)cc3S(=O)(=O)O)c2S(=O)(=O)O)c(COP(=O)(O)O)c(C=O)c1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.75
TDP1 Q9NUW8 5/20 0.75
P2RY1 P47900 4/20 0.75
P2RX2 Q9UBL9 3/20 0.75
P2RX3 P56373 3/20 0.75
KDM4E B2RXH2 3/20 0.75
P2RX7 Q99572 3/20 0.75
P2RX5 Q93086 2/20 0.75
P2RX4 Q99571 2/20 0.75
ALDH1A1 P00352 2/20 0.75
CASP1 P29466 1/20 0.75
CYP2C19 P33261 1/20 0.75
RAB9A P51151 1/20 0.75
CASP7 P55210 1/20 0.75
MEN1 O00255 3/20 0.70
KMT2A Q03164 3/20 0.70
HPGD P15428 2/20 0.70
HSD17B10 Q99714 2/20 0.70
ENPP1 P22413 1/20 0.64
P2RY13 Q9BPV8 4/20 0.52

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
SCHEMBL13624677 0.86 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
SCHEMBL31236767 0.86 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
SCHEMBL7196930 0.86 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
SCHEMBL29357199 0.86 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
SCHEMBL5287746 0.86 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
SCHEMBL7196945 0.86 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
Isoppads SCHEMBL14702227 0.82 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
Isoppads SCHEMBL29494952 0.82 MAPT (1.00) MAPTTDP1P2RY1P2RX2P2RX3
SCHEMBL15866621 0.80 P2RX2 (1.00) MAPTTDP1P2RY1P2RX2P2RX3
SCHEMBL29374112 0.76 MAPT (0.78) MAPTTDP1P2RY1P2RX2P2RX3

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
WO-2007042776-A1 MODULATORS OF THE PURINERGIC SIGNALLING PATHWAY FOR TREATING SODIUM HOMEOSTATSIS, HYPERTENSION AND ALDOSTERONISM IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2007-04-19 WO claimed
WO-2007042776-A1 MODULATORS OF THE PURINERGIC SIGNALLING PATHWAY FOR TREATING SODIUM HOMEOSTATSIS, HYPERTENSION AND ALDOSTERONISM IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2007-04-19 WO disclosed