SCHEMBL6002253

SCHEMBL6002253

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
XDH P47989 3/20 0.32
ACACB O00763 2/20 0.32
MCL1 Q07820 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL6002662 0.84 MCL1 (0.41) MAPTXDHMCL1
SCHEMBL6002969 0.83 GPBAR1 (0.39) MAPT
SCHEMBL17625952 0.78 NQO1 (0.47) MAPTXDH
SCHEMBL1317405 0.76 NPC1 (0.46) MAPT
SCHEMBL6003637 0.76 CYP2D6 (0.53) MAPTXDH
SCHEMBL6002967 0.74 MCHR1 (0.38)
SCHEMBL122883 0.73 ACACB (0.45) MAPTACACBHDAC1HDAC2HDAC8
SCHEMBL27554388 0.73 METAP2 (0.47) MAPT
SCHEMBL27540440 0.72 XDH (0.44) MAPTXDH
SCHEMBL27577279 0.70 NPC1 (0.46) XDHMCL1

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