SCHEMBL6003073

SCHEMBL6003073

OC(CCCCCC1CCCCCCC1)c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.39
NAAA Q02083 3/20 0.35
GPR84 Q9NQS5 1/20 0.35
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.33
BMP1 P13497 3/20 0.32
KDM5A P29375 2/20 0.31
PHF8 Q9UPP1 2/20 0.31
KDM2A Q9Y2K7 2/20 0.31
KDM4C Q9H3R0 1/20 0.31
KDM4A O75164 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
SCHEMBL6002734 0.98 SIGMAR1 (0.36) SIGMAR1NAAAGPR84MAPTCYP1A2
SCHEMBL6003283 0.86 MAPT (0.30) MAPT
SCHEMBL2093530 0.84 SIGMAR1 (0.38) SIGMAR1NAAAGPR84MAPTCYP1A2
SCHEMBL2095854 0.84 SIGMAR1 (0.38) SIGMAR1NAAAGPR84MAPTCYP1A2
SCHEMBL6001510 0.83 IDO1 (0.37)
SCHEMBL2090496 0.82 SIGMAR1 (0.35) SIGMAR1NAAAGPR84MAPTCYP1A2
SCHEMBL30833259 0.71 SIGMAR1 (0.54) SIGMAR1NAAAGPR84MAPTCYP1A2
SCHEMBL4941600 0.71 GPR84 (0.34) GPR84MAPTCYP1A2
SCHEMBL10358404 0.69 SIGMAR1 (0.50) SIGMAR1MAPTCYP1A2KDM5APHF8
SCHEMBL9122326 0.67 SIGMAR1 (0.46) SIGMAR1GPR84MAPTCYP1A2KDM5A

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