SCHEMBL8610050

SCHEMBL8610050

O=C(O)CCCc1ccc2nc(-c3nnn[nH]3)cn2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.42
APP P05067 2/20 0.38
CYP1A2 P05177 2/20 0.36
HDAC3 O15379 1/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
HDAC4 P56524 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HSD17B10 Q99714 1/20 0.35
RXRA P19793 1/20 0.35

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
SCHEMBL8607791 0.93 APP (0.36) TBXAS1APPSMN1; SMN2S1PR1FFAR1
SCHEMBL9753493 0.82 APP (0.40) APPSMN1; SMN2
SCHEMBL8607307 0.82 APP (0.34) APPSMN1; SMN2S1PR1FFAR1
SCHEMBL8606726 0.80 S1PR1 (0.31) S1PR1
SCHEMBL9753537 0.79 APP (0.38) APPSMN1; SMN2
SCHEMBL8606962 0.79 KDM6B (0.35) APPSMN1; SMN2S1PR1FFAR1EGLN1
SCHEMBL8608796 0.78 FFAR1 (0.35) APPMAPK1SMN1; SMN2HSD17B10S1PR1
SCHEMBL8607295 0.78 ALDH1A1 (0.50) SMN1; SMN2HSD17B10
SCHEMBL9753486 0.77 APP (0.35) APP
SCHEMBL8606803 0.76 CPB2 (0.36) MAPK1SMN1; SMN2HSD17B10FFAR1

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