SCHEMBL6002583

SCHEMBL6002583

[CH2]CNc1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 3/20 0.44
PAX8 Q06710 2/20 0.44
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 4/20 0.39
KDM4E B2RXH2 1/20 0.39
S1PR2 O95136 1/20 0.39

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
SCHEMBL3889561 0.81 MEN1 (0.51) MEN1LMNAKMT2APAX8MAPT
SCHEMBL13836072 0.80 MEN1 (0.41) MEN1LMNAKMT2APAX8MAPT
SCHEMBL498377 0.79 ALDH1A1 (0.56) MEN1LMNAKMT2APAX8MAPT
SCHEMBL12015662 0.77 MEN1 (0.50) MEN1LMNAKMT2APAX8MAPT
SCHEMBL4375292 0.77 ALDH1A1 (0.47) MEN1LMNAKMT2APAX8MAPT
SCHEMBL2089756 0.77 MAPT (0.53) MEN1LMNAKMT2AMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL28806796 0.76 MEN1 (0.49) MEN1LMNAKMT2APAX8MAPT
Hydrochloric Acid SCHEMBL10564643 0.76 MEN1 (0.46) MEN1LMNAKMT2APAX8MAPT
SCHEMBL9069320 0.74 PIK3CD (0.61) MEN1LMNAKMT2APAX8MAPT
SCHEMBL1119471 0.74 ALDH1A1 (0.47) MEN1LMNAKMT2APAX8MAPT

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