SCHEMBL6001640

SCHEMBL6001640

CC(C)(C)Oc1ccccc1-c1c[nH][c]n1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.33
KCNH2 Q12809 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 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
SCHEMBL11669563 0.76 BRD4 (0.40) GAA
SCHEMBL6002862 0.76 TRPA1 (0.37) ALDH1A1
SCHEMBL4049259 0.75 DRD1 (0.41) METAP2ALDH1A1MAPTHPGDALOX15
SCHEMBL12355661 0.73 CA12 (0.39) KCNH2CNR2ALDH1A1HSD17B10
SCHEMBL6003169 0.72 MGAM (0.42) METAP2ALDH1A1GAAMAPTHPGD
SCHEMBL6003468 0.71 RIPK1 (0.38) KCNH2
SCHEMBL6002382 0.70 ALDH1A1 (0.36) KCNH2ALDH1A1GAAMAPTHPGD
SCHEMBL4045966 0.69 IDO1 (0.46) ALDH1A1MAPT
SCHEMBL18355262 0.68 AKT1 (0.47)
SCHEMBL6003439 0.67 IDO1 (0.49) CNR2

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