SCHEMBL9753883

SCHEMBL9753883

COc1cc(CP(=O)(O)O)nc(N2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 1/20 0.43
NR1H3 Q13133 4/20 0.42
NR1H2 P55055 2/20 0.42
ALPL P05186 1/20 0.42
GRM5 P41594 2/20 0.40
AR P10275 1/20 0.39
RAB9A P51151 1/20 0.39
TNF P01375 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8607629 0.82 NR1H3 (0.44) SCN2ANR1H3NR1H2ALPLGRM5
SCHEMBL9753503 0.81 PGK1 (0.41) ALPLGRM5ARPGK1PGK2
SCHEMBL8607339 0.76 SCN2A (0.48) SCN2ANR1H3NR1H2ALPLGRM5
SCHEMBL11615606 0.70 NR1H3 (0.61) SCN2ANR1H3NR1H2GRM5KDM4E
SCHEMBL9753555 0.70 PGK1 (0.41) RAB9APGK1PGK2TDP1NPC1
Butane SCHEMBL8606470 0.68 NR1H3 (0.38) SCN2ANR1H3NR1H2ALPLGRM5
SCHEMBL9753562 0.68 KDM4E (0.41) GRM5RAB9APGK1PGK2KDM4E
SCHEMBL9753803 0.67 SMN1; SMN2 (0.37) ALPLARPGK1PGK2KDM4E
SCHEMBL4728822 0.65 NR1H3 (0.67) SCN2ANR1H3NR1H2GRM5CYP1A2
SCHEMBL30758624 0.65 NR1H3 (0.67) SCN2ANR1H3NR1H2GRM5CYP1A2

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 2 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 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