SCHEMBL6003169

SCHEMBL6003169

COc1cccc(-c2c[nH][c]n2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
PARP1 P09874 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
HSD17B10 Q99714 2/20 0.38
FGFR1 P11362 1/20 0.38
FGFR2 P21802 1/20 0.38

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
SCHEMBL196440 0.73 MGAM (0.55) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL6003235 0.72 CYP1A1 (0.50) GAAADORA3SMN1; SMN2MAPTALDH1A1
SCHEMBL2752968 0.72 MGAM (0.46) MGAMGAASIMGAM2ADORA3
SCHEMBL6001640 0.72 METAP2 (0.33) GAAMAPTALDH1A1HSD17B10HPGD
SCHEMBL2752336 0.72 MGAM (0.46) MGAMGAASIMGAM2ADORA3
SCHEMBL2750900 0.72 MGAM (0.46) MGAMGAASIMGAM2ADORA3
SCHEMBL11669563 0.70 BRD4 (0.40) GAA
SCHEMBL16674078 0.69 CA1 (0.55) MGAMGAASIMGAM2SMN1; SMN2
SCHEMBL29104485 0.69 IDO1 (0.46) GAASMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL29496937 0.69 SMN1; SMN2 (0.66) MGAMGAASIMGAM2ADORA3

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-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed