SCHEMBL9753944

SCHEMBL9753944

O=C(O)c1cn2cc(CCCc3nnn[nH]3)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
EGLN1 Q9GZT9 9/20 0.35
APP P05067 2/20 0.34
METTL3 Q86U44 3/20 0.33
TBXAS1 P24557 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 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
SCHEMBL9753505 0.93 PTGS1 (0.42) PTGS1PTGS2EGLN1APPMETTL3
SCHEMBL9753496 0.81 APP (0.31) APP
SCHEMBL9753493 0.80 APP (0.40) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL9753569 0.80 PTGS1 (0.39) PTGS1PTGS2EGLN1METTL3
SCHEMBL8608010 0.79 RXFP1 (0.33) PTGS1PTGS2
SCHEMBL9753527 0.78 PTGS1 (0.41) PTGS1PTGS2EGLN1METTL3KDM4E
SCHEMBL8608817 0.77 TBXAS1 (0.49) PTGS1PTGS2EGLN1APPTBXAS1
SCHEMBL9753658 0.76 PTGS1 (0.36) PTGS1PTGS2EGLN1KDM4ELMNA
SCHEMBL8609714 0.75 PTGS1 (0.46) PTGS1PTGS2EGLN1KDM4EMEN1
SCHEMBL8605302 0.75 PTGS1 (0.39) PTGS1PTGS2TBXAS1

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