SCHEMBL6002809

SCHEMBL6002809

[CH2]C(CCCC)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HDAC3 O15379 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 2/20 0.33
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
PKM P14618 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPN7 P35236 1/20 0.33
BLM P54132 1/20 0.33
ESR2 Q92731 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8556811 0.88 KMT2A (0.38) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL8014934 0.79
SCHEMBL7292793 0.78 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL7292797 0.78 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL7278342 0.78 KMT2A (0.48) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL12969165 0.78 KMT2A (0.38) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL8591873 0.77 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL921431 0.77 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL13479612 0.77 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1KDM4EHDAC3
SCHEMBL920595 0.77 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1KDM4EMAPT

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