SCHEMBL6607455

SCHEMBL6607455

Nc1cccc(CN2C(=O)CCC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
POLB P06746 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
ATAD2 Q6PL18 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
CLTC Q00610 1/20 0.43
CYP19A1 P11511 1/20 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
SCHEMBL3292597 0.81 CA12 (0.44) CA12CA1CA2CA9POLB
SCHEMBL6605903 0.80 GSK3A (0.66) CYP11B1CYP11B2MAOAMAOBMEN1
SCHEMBL20804240 0.80 MGLL (0.60) CYP11B1CYP11B2MAOAMAOBABHD6
SCHEMBL5782807 0.79 GSK3A (0.67) POLBCYP11B1CYP11B2MEN1KMT2A
SCHEMBL28555863 0.79 CYP2C9 (0.65) MEN1KMT2ACYP1A2GAACYP2C9
SCHEMBL20804319 0.79 ALDH1A1 (0.58) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL5766288 0.79 SMN1; SMN2 (0.53) CA12CA1CA2CA9POLB
Hydrochloric Acid SCHEMBL5460366 0.78 GSK3A (0.65) POLBMAOAMAOBMEN1KMT2A
SCHEMBL2025369 0.77 KMT2A (0.60) CA12CA1CA2CA9POLB
SCHEMBL7217564 0.77 CA1 (0.62) CA12CA1CA2CA9POLB

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-1436269-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed