SCHEMBL6003014

SCHEMBL6003014

CCCC1(CCC)c2ccccc2CCC1COCC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
SIGMAR1 Q99720 3/20 0.33
CTSK P43235 1/20 0.33
HTR1A P08908 1/20 0.33
LMNA P02545 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL874989 0.75 KDM1A (0.44) KDM1AHTR1ALMNA
Hydrochloric Acid SCHEMBL27303798 0.74 KDM1A (0.42) KDM1ASIGMAR1LMNA
SCHEMBL28549626 0.72 SIGMAR1 (0.41) KDM1ASIGMAR1LMNA
SCHEMBL28911543 0.72 SIGMAR1 (0.41) KDM1ASIGMAR1LMNA
SCHEMBL28551246 0.72 SIGMAR1 (0.41) KDM1ASIGMAR1LMNA
SCHEMBL3948798 0.71 MAPK1 (0.37) KDM1A
SCHEMBL11750905 0.71 SRD5A1 (0.40) KDM1ACTSKHTR1ALMNATDP1
SCHEMBL7787278 0.70 DRD3 (0.35) KDM1A
SCHEMBL27565839 0.69 KDM1A (0.36) KDM1AHTR1A
SCHEMBL7782464 0.65 ESR2 (0.48) KDM1ASIGMAR1LMNA

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