SCHEMBL6003017

SCHEMBL6003017

CC([O])(c1ccc(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
POLB P06746 1/20 0.47
CYP19A1 P11511 4/20 0.45
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MIF P14174 1/20 0.41
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
HRH1 P35367 1/20 0.39
HTR2B P41595 1/20 0.39
CHRNA4 P43681 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
SCHEMBL4066883 0.91 KMT2A (0.48) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL4802239 0.83 KMT2A (0.56) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL2768675 0.77 MEN1 (0.62) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL197202 0.77 MEN1 (0.62) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL13379568 0.77 CYP19A1 (0.67) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL95552 0.77 MEN1 (0.62) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL31497682 0.77 MEN1 (0.62) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL1538386 0.77 MEN1 (0.62) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL8322314 0.74 MEN1 (0.59) KMT2AMEN1POLBCYP19A1LMNA
SCHEMBL11604815 0.74 MEN1 (0.59) KMT2AMEN1POLBCYP19A1LMNA

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