SCHEMBL13627376

SCHEMBL13627376

COc1ccc(-n2nc(C(=O)N3CCCCC3CCN=[N+]=[N-])cc2-c2ccccc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.41
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40
RPA1 P27694 1/20 0.39
PTGS1 P23219 1/20 0.38
EPHX2 P34913 1/20 0.38
PTGS2 P35354 1/20 0.38
MALT1 Q9UDY8 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL2914583 0.89 MGLL (0.44) MGLLSCDSCD5RPA1PTGS1
SCHEMBL13212909 0.88 MGLL (0.44) MGLLSCDSCD5RPA1PTGS1
Hydrochloric Acid SCHEMBL2918326 0.88 MGLL (0.43) MGLLSCDSCD5RPA1PTGS1
SCHEMBL2919458 0.87 MGLL (0.46) MGLLSCDSCD5RPA1PTGS1
SCHEMBL2921275 0.87 MGLL (0.45) MGLLSCDSCD5RPA1PTGS1
SCHEMBL2912065 0.86 MGLL (0.45) MGLLSCDSCD5RPA1PTGS1
SCHEMBL13637496 0.85 MGLL (0.44) MGLLSCDSCD5RPA1PTGS1
SCHEMBL2911147 0.83 PTGS1 (0.45) MGLLSCDSCD5RPA1PTGS1
SCHEMBL13637495 0.83 HPGD (0.54) MGLLSCDSCD5RPA1PTGS1
SCHEMBL2917722 0.81 SCD (0.44) MGLLSCDSCD5RPA1PTGS1

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
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed