SCHEMBL8546196

SCHEMBL8546196

CSc1c([N+](=O)[O-])cnn(C(C)(C)C)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 7/20 0.35
NPSR1 Q6W5P4 3/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
GALR3 O60755 1/20 0.33
NR2F2 P24468 1/20 0.33
GPR183 P32249 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR35 Q9HC97 1/20 0.33
PKM P14618 2/20 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 0.81 SMN1; SMN2 (0.64) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL8546166 0.79 LMNA (0.49) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL8547507 0.79 HTT (0.49) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL21719655 0.75 LMNA (0.44) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL8549402 0.73 MEN1 (0.36) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL21721122 0.73 LMNA (0.43) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL10372186 0.67 MEN1 (0.42) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL10371902 0.67 TXNRD1 (0.55) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL27227994 0.65 HTT (0.47) LMNAHTTSMN1; SMN2HPGDATM
SCHEMBL18383143 0.64 POLB (0.47) LMNAHTTSMN1; SMN2HPGDATM

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