SCHEMBL20159142

SCHEMBL20159142

CCCC1(C)CC(c2ccc(N)cc2)=NN(CCCNC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.41
DRD2 P14416 11/20 0.39
BRD4 O60885 2/20 0.37
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
PDE4B Q07343 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL20159143 0.88 MIF (0.42) MIFDRD2BRD4CA12CA1
SCHEMBL22923512 0.85 MIF (0.44) MIFDRD2BRD4MAPTRECQL
SCHEMBL22923793 0.82 MIF (0.34) MIFDRD2MAPTPDE4B
SCHEMBL20159475 0.81 NAMPT (0.48)
SCHEMBL20142970 0.74 TP53 (0.36) MAPTPDE4B
SCHEMBL22923673 0.69 MEN1 (0.35) MIFDRD2BRD4MAPTPDE4B
SCHEMBL22923561 0.69 CD274 (0.37) MIFDRD2MAPT
SCHEMBL20159528 0.65 PDE4B (0.40) PDE4B
SCHEMBL24257354 0.65 DRD2 (0.66) DRD2
SCHEMBL19977078 0.64 DYRK1A (0.45) DRD2CA12CA1CA2CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018086703-A1 DIHYDROPYRIDAZINONES SUBSTITUTED WITH PHENYLUREAS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-17 WO disclosed