SCHEMBL7363886

SCHEMBL7363886

CCn1nc(-c2ccc(C)c(C(=O)OC)c2)c2cccnc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
TBXAS1 P24557 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
HPGD P15428 4/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7369736 0.92 TSHR (0.45) KDM4ESMN1; SMN2TSHRHPGDMEN1
SCHEMBL7365735 0.92 PDE4A (0.44) KDM4ETBXAS1SMN1; SMN2TSHRPDE4A
SCHEMBL7359750 0.89 PDE4A (0.50) KDM4ETSHRPDE4APDE4BPDE4C
SCHEMBL7366365 0.88 PDE4A (0.52) KDM4ETSHRPDE4APDE4BPDE4C
SCHEMBL7365662 0.84 HPGD (0.55) KDM4ETBXAS1SMN1; SMN2TSHRPDE4A
SCHEMBL7369732 0.84 KDM4E (0.44) KDM4ESMN1; SMN2TSHRHPGDALDH1A1
SCHEMBL8699836 0.84 TBXAS1 (0.45) KDM4ETBXAS1SMN1; SMN2TSHRPDE4A
SCHEMBL7363039 0.83 PDE4A (0.47) KDM4ESMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL7370274 0.81 PDE4A (0.52) KDM4EPDE4APDE4BPDE4CPDE4D
SCHEMBL7365395 0.80 PDE4A (0.61) KDM4EPDE4APDE4BPDE4CPDE4D

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