SCHEMBL6002564

SCHEMBL6002564

[CH2]OC(=O)N(OC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1H3 Q13133 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TACR1 P25103 1/20 0.30
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL6002629 0.83 NPSR1 (0.34) ATMTDP1L3MBTL1NR1H3NPSR1
SCHEMBL26622112 0.71 ATM (0.37) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL6002568 0.68 TACR1 (0.30) TACR1
SCHEMBL17681708 0.68 ALDH1A1 (0.41) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL6002286 0.67 L3MBTL1 (0.61) ATMTDP1L3MBTL1NPSR1MEN1
SCHEMBL5170181 0.66 NPSR1 (0.40) ATMTDP1L3MBTL1NR1H3NPSR1
SCHEMBL514386 0.64 SMN1; SMN2 (0.53) L3MBTL1NPSR1MEN1RAB9AKMT2A
SCHEMBL8084617 0.64 CES1 (0.39) ATMTDP1L3MBTL1NR1H3NPSR1
SCHEMBL17681664 0.64 KMT2A (0.38) ATMTDP1L3MBTL1NR1H3NPSR1
SCHEMBL6012131 0.64 NPSR1 (0.38) ATMTDP1L3MBTL1NR1H3NPSR1

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