SCHEMBL20142970

SCHEMBL20142970

CC1(C)CC(c2ccc(N)cc2)=NN(CCCNC(=O)O)C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CD274 Q9NZQ7 1/20 0.35
PDE4B Q07343 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22923512 0.83 MIF (0.44) MAPT
SCHEMBL22923793 0.82 MIF (0.34) TP53MAPTPDE4BTHRBMEN1
SCHEMBL20138842 0.81 PDE4B (0.40) TP53LMNAMAPTPDE4BMEN1
SCHEMBL20159528 0.80 PDE4B (0.40) PDE4BMEN1KMT2A
SCHEMBL20159716 0.79 PDE4B (0.36) LMNAPDE4BMEN1KMT2A
SCHEMBL20138839 0.77 CYP19A1 (0.39) LMNAPDE4BMEN1KMT2A
SCHEMBL20159539 0.75 HRH3 (0.36) CD274
SCHEMBL20159426 0.74 CYP19A1 (0.38) PDE4BMEN1KMT2A
SCHEMBL20159516 0.73 PDE4B (0.34) PDE4BMEN1KMT2A
SCHEMBL20159396 0.73 HRH3 (0.36) PDE4BMEN1KMT2A

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