SCHEMBL8608796

SCHEMBL8608796

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.35
APP P05067 2/20 0.34
ALDH1A1 P00352 4/20 0.33
ALDH1A3 P47895 1/20 0.33
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
KDM4E B2RXH2 3/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.31
NFKB1 P19838 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 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
SCHEMBL8606803 0.90 CPB2 (0.36) FFAR1ALDH1A1ALDH1A3NPC1RAB9A
SCHEMBL8607307 0.85 APP (0.34) FFAR1APPALDH1A1NPC1RAB9A
SCHEMBL8605881 0.83
SCHEMBL9753856 0.82 APP (0.35) APPALDH1A3
SCHEMBL8607791 0.80 APP (0.36) FFAR1APPALDH1A1NPC1RAB9A
SCHEMBL8606683 0.80 KDM4E (0.31) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8606962 0.78 KDM6B (0.35) FFAR1APPALDH1A1NPC1RAB9A
SCHEMBL9753486 0.78 APP (0.35) APP
SCHEMBL8610050 0.78 TBXAS1 (0.42) FFAR1APPSMN1; SMN2MAPK1HSD17B10
SCHEMBL8608527 0.78 PTGS1 (0.42) FFAR1APPRAB9AKDM4EPOLB

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