SCHEMBL6002397

SCHEMBL6002397

CCO[CH]C(=O)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
EPHX2 P34913 1/20 0.58
L3MBTL1 Q9Y468 3/20 0.55
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.52
TRPV1 Q8NER1 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL2090980 0.84 KMT2A (0.64) KMT2AEPHX2L3MBTL1LMNATRPV1
SCHEMBL8858784 0.78 KMT2A (0.73) KMT2AEPHX2L3MBTL1LMNATRPV1
SCHEMBL8858788 0.78 KMT2A (0.73) KMT2AEPHX2L3MBTL1LMNATRPV1
SCHEMBL9379470 0.78 POLB (0.65) KMT2AEPHX2L3MBTL1POLBLMNA
SCHEMBL2056317 0.77 EPHX2 (0.67) KMT2AEPHX2L3MBTL1POLBLMNA
SCHEMBL30459766 0.77 KMT2A (0.68) KMT2AEPHX2LMNATRPV1ALDH1A1
SCHEMBL4117918 0.77 EPHX2 (0.76) KMT2AEPHX2L3MBTL1POLBLMNA
SCHEMBL23169590 0.75 EPHX2 (0.59) KMT2AEPHX2L3MBTL1POLBLMNA
SCHEMBL28965383 0.75 MAPT (0.66) KMT2AEPHX2L3MBTL1POLBLMNA
SCHEMBL6002399 0.75 ALDH1A1 (0.64) KMT2AEPHX2L3MBTL1POLBKDM4E

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