SCHEMBL8546166

SCHEMBL8546166

CC(C)(C)n1ncc([N+](=O)[O-])c(N)c1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 2/20 0.33
POLB P06746 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR6 P51684 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
GALR3 O60755 1/20 0.32
NR2F2 P24468 1/20 0.32
GPR183 P32249 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8543541 0.82 SMN1; SMN2 (0.64) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL8547507 0.81 HTT (0.49) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL5106132 0.80 KDM4E (0.43) LMNAHTTHPGDATMMAPT
SCHEMBL8546196 0.79 LMNA (0.48) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL21719655 0.76 LMNA (0.44) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL8544116 0.75 SMN1; SMN2 (0.35) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL21721122 0.75 LMNA (0.43) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL8550018 0.67 SMN1; SMN2 (0.38) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL18383145 0.67 POLB (0.43) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL8385965 0.66 MEN1 (0.44) LMNAHTTHPGDMAPTKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0717734-B1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA (JP) 1998-11-18 EP disclosed
US-5763439-A POTENTIATION ISHIHARA SANGYO KAISHA LTD. (JP) 1998-06-09 US disclosed
EP-0717734-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA, LTD. (JP) 1996-06-26 EP disclosed
WO-1995007264-A1 PYRIDAZINONE DERIVATIVES OR THEIR SALTS, PROCESSES FOR THEIR PRODUCTION, AND ANTI-SHOCK AGENTS CONTAINING THEM ISHIHARA SANGYO KAISHA LTD. (JP) 1995-03-16 WO disclosed