SCHEMBL6002831

SCHEMBL6002831

OCC1(Cc2ccccc2)N=NN=N1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
CALM1 P0DP23 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.32
THRB P10828 1/20 0.32
IDO1 P14902 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
AKR1B1 P15121 1/20 0.32
KDM1A O60341 2/20 0.32
NOS2 P35228 1/20 0.31
TRPA1 O75762 1/20 0.31

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
SCHEMBL5282506 0.87 MAOB (0.43) TSHRMAOAMAOBCALM1ALDH1A1
SCHEMBL5247853 0.80 TDP1 (0.45) TSHRTDP1MAOAMAOBGAA
SCHEMBL6002827 0.79 ALDH1A1 (0.39) TDP1MAOAMAOBLMNACALM1
SCHEMBL10967375 0.79 MAOA (0.38) TSHRMAOAMAOBCALM1ALDH1A1
SCHEMBL5280214 0.79 TP53 (0.41) TSHRMAOAMAOBCALM1ALDH1A1
SCHEMBL5275325 0.76 MMP2 (0.38) MAOAMAOBLMNAGAACALM1
SCHEMBL5279760 0.75 SLC6A2 (0.35) TSHRMAOAMAOBLMNAHPGD
SCHEMBL5278439 0.75 TAAR1 (0.35) MAOAMAOBALDH1A1TRPA1
SCHEMBL5246710 0.74 MAPT (0.43) TDP1MAOAMAOBCES1
SCHEMBL3034490 0.74 MAOA (0.40) TSHRTDP1MAOAMAOBCALM1

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