SCHEMBL6002548

SCHEMBL6002548

COCC1(c2ccc(OC(F)(F)F)cc2)N=NN=N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.47
SLC6A3 Q01959 10/20 0.47
SLC6A2 P23975 3/20 0.47
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6002542 0.73 LMNA (0.33)
SCHEMBL254957 0.67 MAPT (0.56) ALDH1A1TSHRKDM4ETDP1
SCHEMBL513288 0.66 GRIN2B (0.50) SLC6A4ALDH1A1TSHR
SCHEMBL514500 0.66 CA1 (0.58) TDP1
SCHEMBL10194679 0.65 SLC6A4 (0.54) SLC6A4SLC6A3SLC6A2KCNH2KDM1A
SCHEMBL1677166 0.65 SLC6A4 (0.53) SLC6A4SLC6A3SLC6A2KDM1ARCOR1
SCHEMBL28510655 0.64 MAPT (0.41) KCNH2SCN10AALDH1A1TSHRKDM4E
SCHEMBL22815879 0.64 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CTSDBACE1
SCHEMBL28172966 0.64 SLC6A4 (0.49) SLC6A4SLC6A3SLC6A2CTSDBACE1
SCHEMBL155707 0.63 TSHR (0.58) SLC6A4SLC6A3KDM1ARCOR1ALDH1A1

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