SCHEMBL7366374

SCHEMBL7366374

O=C(O)c1cccnc1-c1ccc(Cl)c([N+](=O)[O-])c1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
PKM P14618 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CLCN2 P51788 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
SCHEMBL7366019 0.86 KDM4E (0.46) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL7370854 0.80 KDM4E (0.49) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL7365254 0.79 KDM4E (0.54) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL7365914 0.76 KDM4E (0.61) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL7364363 0.72 KDM4E (0.51) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL7363319 0.71 KDM4E (0.54) KDM4ETDP1SMN1; SMN2LMNAKMT2A
SCHEMBL10887978 0.71 KDM4E (0.57) KDM4ETDP1LMNAKMT2AMEN1
SCHEMBL29950284 0.71 KDM4E (0.57) KDM4ETDP1LMNAKMT2AMEN1
SCHEMBL10887985 0.71 KDM4E (0.57) KDM4ETDP1LMNAKMT2AMEN1
SCHEMBL29574354 0.70 KDM4E (0.65) KDM4ETDP1SMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5716954-A ANTIINFLAMMATORY AGENT, ANTIHISTAMINES, IMMUNOSUPPRESSION,AUTOIMMUNE DISEASES SYNTEX U.S.A. INC. (US) 1998-02-10 US disclosed
EP-0612321-A1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1994-08-31 EP disclosed
WO-1993007146-A1 BENZO AND PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX (U.S.A.) INC. (US) 1993-04-15 WO disclosed