SCHEMBL7363024

SCHEMBL7363024

Cc1ccc(-c2nn(C(C)C)c(=O)c3cccnc23)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.50
MEN1 O00255 11/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
PDE4A P27815 2/20 0.47
PDE4D Q08499 2/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
MAPT P10636 13/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2C19 P33261 4/20 0.44
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 7/20 0.42
NPSR1 Q6W5P4 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
KDM4E B2RXH2 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CTSB P07858 2/20 0.42

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
SCHEMBL7369609 0.89 ALDH1A1 (0.46) KMT2AMEN1SMN1; SMN2PDE4APDE4D
SCHEMBL9382135 0.84 PDE4A (0.55) KMT2AMEN1SMN1; SMN2PDE4APDE4D
SCHEMBL7369501 0.83 PDE4A (0.63) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL7364352 0.82 KMT2A (0.48) KMT2AMEN1SMN1; SMN2PDE4APDE4D
SCHEMBL7367215 0.81 PDE4A (0.63) KMT2AMEN1SMN1; SMN2PDE4APDE4D
SCHEMBL7362856 0.80 PDE4A (0.73) KMT2AMEN1SMN1; SMN2PDE4APDE4D
SCHEMBL7370561 0.80 L3MBTL1 (0.47) PDE4APDE4DPDE4BPDE4CMAPT
SCHEMBL7366444 0.78 PDE4A (0.59) KMT2AMEN1SMN1; SMN2PDE4APDE4D
SCHEMBL7369403 0.78 KDM4E (0.44) SMN1; SMN2PDE4AMAPTALDH1A1KDM4E
SCHEMBL7362558 0.76 KMT2A (0.51) KMT2AMEN1SMN1; SMN2MAPTCYP1A2

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
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