SCHEMBL9753836

SCHEMBL9753836

O=P(O)(O)c1ccc2ncc(P(=O)(O)O)n2c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.36
NPSR1 Q6W5P4 1/20 0.35
EPHB3 P54753 2/20 0.34
GGPS1 O95749 1/20 0.33
FDPS P14324 1/20 0.33
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
TGFBR1 P36897 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
POLB P06746 1/20 0.30
TGFBR2 P37173 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
Methyl Alcohol SCHEMBL9753785 0.76 GABRP (0.38) CLK1EPHB3CA2
SCHEMBL9753850 0.75 NPSR1 (0.37) NPSR1GGPS1FDPSCA2CA4
SCHEMBL9753432 0.72 CLK1 (0.36) CLK1EPHB3
SCHEMBL8609758 0.71 CLK1 (0.37) CLK1EPHB3TGFBR1
SCHEMBL8607789 0.71
SCHEMBL8607440 0.70 CLK1 (0.37) CLK1EPHB3
SCHEMBL8607390 0.70 CLK1 (0.37) CLK1EPHB3
SCHEMBL8609499 0.70 CLK1 (0.36) CLK1EPHB3
SCHEMBL8605388 0.65 KDM4E (0.43) NPSR1
SCHEMBL8605704 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP claimed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO claimed
EP-0436831-A2 Imidazo[1,2-a]pyridinylalkyl compounds for treatment of neurotoxic injury G.D. Searle & Co. (US) 1991-07-17 EP disclosed
WO-1991008211-A1 IMIDAZO[1,2-a]PYRIDINYLALKYL COMPOUNDS FOR TREATMENT OF NEUROTOXIC INJURY G.D. SEARLE & CO. (US) 1991-06-13 WO disclosed