SCHEMBL6002679

SCHEMBL6002679

[CH2]COCCc1cncs1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
LTA4H P09960 1/20 0.33
SLC6A3 Q01959 9/20 0.33
TDP1 Q9NUW8 1/20 0.33
RAB9A P51151 3/20 0.31
NPC1 O15118 2/20 0.31
LMNA P02545 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 3/20 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
SCHEMBL2095004 0.81 TRPM8 (0.36) PARP15PARP10LTA4HSLC6A3TDP1
SCHEMBL28163849 0.74
SCHEMBL27548446 0.72 RAB9A (0.36) PARP15PARP10LTA4HSLC6A3TDP1
SCHEMBL28905989 0.72 TDP1 (0.44) PARP15PARP10SLC6A3TDP1RAB9A
Hydrochloric Acid SCHEMBL29290253 0.70 RAB9A (0.35) PARP15PARP10LTA4HSLC6A3TDP1
SCHEMBL2092469 0.69 TLR7 (0.39) PARP15PARP10LTA4HSLC6A3TDP1
SCHEMBL2474170 0.69 LMNA (0.38) PARP15PARP10SLC6A3TDP1RAB9A
SCHEMBL17080164 0.69 PARP15 (0.47) PARP15PARP10SLC6A3TDP1RAB9A
SCHEMBL272570 0.69
SCHEMBL2472947 0.69

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