SCHEMBL8607307

SCHEMBL8607307

O=C(O)C(O)CCc1ccc2nc(-c3nnn[nH]3)cn2c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.34
S1PR1 P21453 1/20 0.33
FFAR1 O14842 8/20 0.32
KDM4E B2RXH2 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL8606962 0.89 KDM6B (0.35) APPS1PR1FFAR1KDM4ERAB9A
SCHEMBL8608796 0.85 FFAR1 (0.35) APPS1PR1FFAR1KDM4ERAB9A
SCHEMBL9753486 0.84 APP (0.35) APP
SCHEMBL8607791 0.84 APP (0.36) APPS1PR1FFAR1KDM4ERAB9A
SCHEMBL8610050 0.82 TBXAS1 (0.42) APPS1PR1FFAR1SMN1; SMN2
SCHEMBL8608440 0.81
SCHEMBL8606803 0.78 CPB2 (0.36) FFAR1KDM4ERAB9ANPC1ALDH1A1
SCHEMBL9753722 0.78 APP (0.32) APPKDM4ERAB9ANPC1ALDH1A1
SCHEMBL9753537 0.77 APP (0.38) APPKDM4ERAB9ANPC1ALDH1A1
SCHEMBL9753856 0.77 APP (0.35) APP

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
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