SCHEMBL20138839

SCHEMBL20138839

CCN1N=C(c2ccc(N)cc2)CC(C)(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4B Q07343 4/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
PIK3R1 P27986 1/20 0.31
MTOR P42345 1/20 0.31

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
SCHEMBL20142913 0.86 SMN1; SMN2 (0.39) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL20138842 0.85 PDE4B (0.40) CYP19A1SMN1; SMN2LMNAL3MBTL1MEN1
SCHEMBL20159426 0.85 CYP19A1 (0.38) CYP19A1L3MBTL1MEN1KMT2APDE4B
SCHEMBL20159396 0.84 HRH3 (0.36) CYP19A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL20159516 0.84 PDE4B (0.34) CYP19A1L3MBTL1MEN1KMT2APDE4B
SCHEMBL20159539 0.83 HRH3 (0.36) CYP19A1ALDH1A1
SCHEMBL20159716 0.83 PDE4B (0.36) CYP19A1SMN1; SMN2LMNAL3MBTL1MEN1
SCHEMBL20159528 0.81 PDE4B (0.40) CYP19A1MEN1KMT2APDE4BALDH1A1
SCHEMBL20142920 0.81 CYP19A1 (0.45) CYP19A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL20142970 0.77 TP53 (0.36) LMNAMEN1KMT2APDE4B

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