SCHEMBL20138653

SCHEMBL20138653

CC1(C)CC(c2ccc(Br)cc2)=NN(c2ccccc2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
CES2 O00748 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 2/20 0.38
ERBB2 P04626 2/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL20159211 0.86 SMN1; SMN2 (0.40) GAASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL20159752 0.85 SMN1; SMN2 (0.39) GAASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL4940552 0.79 PDE4B (0.51) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL20142960 0.79 SMN1; SMN2 (0.41) GAASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL11729834 0.76 MEN1 (0.61) GAACES2SMN1; SMN2PDE4APDE4B
SCHEMBL6014950 0.75 MAPT (0.42) GAACES2SMN1; SMN2PDE4APDE4B
SCHEMBL20142913 0.75 SMN1; SMN2 (0.39) GAASMN1; SMN2PDE4BMEN1MAPT
SCHEMBL29394870 0.74 GAA (0.76) GAACES2SMN1; SMN2PDE4APDE4B
SCHEMBL20138995 0.74 PDE4A (0.45) GAASMN1; SMN2PDE4APDE4BPDE4C
SCHEMBL20142942 0.72 PDE4A (0.44) GAASMN1; SMN2PDE4APDE4BPDE4C

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