SCHEMBL7370854

SCHEMBL7370854

O=C(O)c1cccnc1-c1cccc([N+](=O)[O-])c1CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 3/20 0.46
PDE10A Q9Y233 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.39
DDX3X O00571 1/20 0.39
MET P08581 1/20 0.39
ASPH Q12797 1/20 0.39
KDM8 Q8N371 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL10887985 0.84 KDM4E (0.57) KDM4ETDP1TSHRDDX3XMET
SCHEMBL29950284 0.84 KDM4E (0.57) KDM4ETDP1TSHRDDX3XMET
SCHEMBL10887978 0.84 KDM4E (0.57) KDM4ETDP1TSHRDDX3XMET
SCHEMBL7365914 0.84 KDM4E (0.61) KDM4ETDP1TSHRALDH1A1LMNA
SCHEMBL7366374 0.80 KDM4E (0.46) KDM4ETDP1TSHRALDH1A1LMNA
SCHEMBL7366019 0.80 KDM4E (0.46) KDM4ETDP1TSHRPOLBALDH1A1
SCHEMBL8478132 0.79 TSHR (0.60) KDM4ETDP1TSHRPOLBCYP1A2
SCHEMBL7363319 0.79 KDM4E (0.54) KDM4ETDP1TSHRALDH1A1LMNA
SCHEMBL7365254 0.79 KDM4E (0.54) KDM4ETDP1TSHRALDH1A1LMNA
SCHEMBL7362874 0.76 KDM4E (0.50) KDM4ETDP1TSHRALDH1A1SMN1; SMN2

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-0612321-B1 PYRIDO PYRIDAZINONE AND PYRIDAZINTHIONE COMPOUNDS WITH PDE IV INHIBITING ACTIVITY SYNTEX INC (US) 1999-08-25 EP disclosed
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