SCHEMBL8608922

SCHEMBL8608922

O=P(O)(O)c1ccc2nc(-c3nnn[nH]3)cn2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
ALDH1A3 P47895 7/20 0.33
ALDH1A2 O94788 1/20 0.33
NPC1 O15118 5/20 0.31
RAB9A P51151 5/20 0.31
SMN1; SMN2 Q16637 4/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5C P41229 1/20 0.31
KMT2A Q03164 1/20 0.31
PAX8 Q06710 1/20 0.31
CLK1 P49759 4/20 0.31
DYRK1A Q13627 4/20 0.31
POLB P06746 3/20 0.31
GAA P10253 2/20 0.31
LMNA P02545 1/20 0.31
STAT3 P40763 1/20 0.31
CASP3 P42574 1/20 0.31

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
SCHEMBL8605684 0.80 PGK1 (0.32) ALDH1A1ALDH1A3ALDH1A2RAB9AKDM4E
SCHEMBL9844987 0.78 EGLN1 (0.30) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8607360 0.77 ALDH1A3 (0.45) ALDH1A1ALDH1A3ALDH1A2NPC1RAB9A
SCHEMBL8607295 0.77 ALDH1A1 (0.50) ALDH1A1ALDH1A3ALDH1A2NPC1RAB9A
SCHEMBL9753726 0.76 KDM4E (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL8610022 0.74
SCHEMBL8605667 0.74
SCHEMBL8607665 0.74 EGLN1 (0.33) ALDH1A1ALDH1A3ALDH1A2CLK1SLC2A1
SCHEMBL8608791 0.74 MAP2K1 (0.30)
SCHEMBL8608694 0.73

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 5 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
US-5716964-A BRAIN DISORDERS; ANTIISCHEMIC AGENTS G.D. SEARLE & CO. (US) 1998-02-10 US disclosed
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