SCHEMBL6003209

SCHEMBL6003209

[CH2]COC(=O)N(C)c1ccc(SC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.43
LMNA P02545 1/20 0.41
CHRNB2 P17787 3/20 0.40
CHRNB4 P30926 3/20 0.40
CHRNA3 P32297 3/20 0.40
CHRNA4 P43681 3/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
TSHR P16473 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 4/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
PLK1 P53350 1/20 0.35
SLC6A4 P31645 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL2091771 0.81 NOX1 (0.46) NOX1LMNACHRNB2CHRNB4CHRNA3
SCHEMBL515011 0.80 CHRNB2 (0.58) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2093874 0.76 LMNA (0.57) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2095669 0.74 LMNA (0.48) LMNASMN1; SMN2TSHRGAAMAPK1
SCHEMBL11714752 0.73 KMT2A (0.48) LMNACHRNB2CHRNA4MAPK1ALDH1A1
SCHEMBL11156463 0.73 NOX1 (0.47) NOX1LMNATSHRALDH1A1PLK1
SCHEMBL11718726 0.72 NOX1 (0.50) NOX1LMNASMN1; SMN2TSHRALDH1A1
SCHEMBL6002508 0.69 PTGIR (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1
SCHEMBL2092019 0.68 CHRNB2 (0.47) LMNACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2093088 0.68 CHRNB2 (0.47) LMNACHRNB2CHRNB4CHRNA3CHRNA4

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