SCHEMBL7369477

SCHEMBL7369477

O=c1c2cccnc2c(-c2ccc(Cl)c([N+](=O)[O-])c2)nn1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
MAPT P10636 7/20 0.48
NPSR1 Q6W5P4 5/20 0.48
GAA P10253 4/20 0.48
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.46
PDE4A P27815 4/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
HTT P42858 4/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PKM P14618 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL7364352 0.88 KMT2A (0.48) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL7368635 0.84 PDE4A (0.63) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL7362724 0.82 PDE4D (0.63) MEN1KMT2ANPSR1LMNAALDH1A1
SCHEMBL7367868 0.82 PDE4A (0.55) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL7369609 0.82 ALDH1A1 (0.46) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL9379618 0.81 PDE4A (0.56) MEN1KMT2AMAPTGAALMNA
SCHEMBL7359405 0.79 PDE4A (0.61) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL7365402 0.79 PDE4A (0.73) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL22721748 0.79 MEN1 (0.68) MEN1KMT2AMAPTNPSR1GAA
SCHEMBL29539469 0.79 MEN1 (0.68) MEN1KMT2AMAPTNPSR1GAA

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