SCHEMBL6003468

SCHEMBL6003468

CC(C)(C)Oc1ccc(-c2c[nH][c]n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.38
KIF11 P52732 1/20 0.31
SCN1A P35498 1/20 0.30
KCNH2 Q12809 1/20 0.30
SCN5A Q14524 1/20 0.30
SCN9A Q15858 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN8A Q9UQD0 1/20 0.30
SCN10A Q9Y5Y9 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
SCHEMBL6001761 0.83 NISCH (0.43) KIF11SCN1AKCNH2SCN5ASCN9A
SCHEMBL6002382 0.81 ALDH1A1 (0.36) RIPK1KIF11KCNH2SCN10A
SCHEMBL1317405 0.81 NPC1 (0.46)
SCHEMBL6003131 0.81 NISCH (0.32) SCN5A
SCHEMBL27584597 0.77 KIF11 (0.42) KIF11
SCHEMBL6002662 0.77 MCL1 (0.41)
SCHEMBL17625952 0.77 NQO1 (0.47)
SCHEMBL27577279 0.75 NPC1 (0.46) RIPK1
SCHEMBL1119940 0.74 METAP2 (0.42)
SCHEMBL6002253 0.72 MAPT (0.36)

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