SCHEMBL6003210

SCHEMBL6003210

CCCCCOc1ccccc1[S]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 2/20 0.51
MEN1 O00255 1/20 0.51
NR1I2 O75469 1/20 0.51
LMNA P02545 1/20 0.51
CHRM2 P08172 1/20 0.51
ADRA2A P08913 1/20 0.51
MAPT P10636 1/20 0.51
OPRK1 P41145 1/20 0.51
HTR2B P41595 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
LTA4H P09960 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.46
MCHR1 Q99705 2/20 0.45
TLR8 Q9NR97 2/20 0.45
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL5649591 0.98 LMNA (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL1402312 0.98 LMNA (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL1402386 0.98 LMNA (0.54) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL543714 0.94 CYP1A2 (0.60) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL1402282 0.88 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19MEN1LMNA
SCHEMBL30096940 0.85 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL6651604 0.85 CYP1A2 (0.63) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL9387360 0.83 LMNA (0.62) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL2245919 0.83 LMNA (0.62) CYP1A2CYP2C9CYP2C19CYP3A4MEN1
SCHEMBL2859001 0.83 LMNA (0.62) CYP1A2CYP2C9CYP2C19CYP3A4MEN1

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