SCHEMBL9753493

SCHEMBL9753493

c1cc2nc(-c3nnn[nH]3)cn2cc1CCCc1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.40
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
MITF O75030 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM5A P29375 1/20 0.30
KDM5C P41229 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
PAX8 Q06710 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9753537 0.92 APP (0.38) APPKDM4EMEN1NPC1MITF
SCHEMBL8610050 0.82 TBXAS1 (0.42) APPSMN1; SMN2
SCHEMBL9753944 0.80 PTGS1 (0.40) APPKDM4EMEN1ALDH1A1KMT2A
SCHEMBL8607791 0.79 APP (0.36) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL9753496 0.79 APP (0.31) APP
SCHEMBL8607472 0.79
SCHEMBL9753486 0.77 APP (0.35) APP
SCHEMBL8607360 0.76 ALDH1A3 (0.45) APPKDM4EMEN1NPC1MITF
SCHEMBL8607307 0.75 APP (0.34) APPKDM4ENPC1ALDH1A1RAB9A
SCHEMBL9753722 0.75 APP (0.32) APPKDM4EMEN1NPC1MITF

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