SCHEMBL9753435

SCHEMBL9753435

O=P(O)(O)c1ccc2nc(P(=O)(O)O)cn2c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA5A P35218 1/20 0.33
EGLN1 Q9GZT9 4/20 0.32
ALDH1A2 O94788 1/20 0.32
ALDH1A3 P47895 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
PIK3CG P48736 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
SCHEMBL8608756 0.78 PTGS1 (0.53) EGLN1
SCHEMBL8607526 0.78 KDM4E (0.47) ALDH1A1EGLN1ALDH1A3TSHR
SCHEMBL9753612 0.76 ALDH1A1 (0.36) ALDH1A1TDP1CA2CA4CA5A
SCHEMBL9753544 0.76 PGK1 (0.39)
SCHEMBL8606700 0.74 MAP3K5 (0.37) EGLN1
SCHEMBL8608425 0.74 LMNA (0.37) ALDH1A1EGLN1LMNATSHR
SCHEMBL8607292 0.72 MAP3K5 (0.32) EGLN1
SCHEMBL8609856 0.72 EGLN1 (0.32) EGLN1
SCHEMBL8607507 0.72 EGLN1 (0.39) CA2EGLN1
SCHEMBL8609515 0.72 GRIN2D (0.39) EGLN1

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