SCHEMBL7307639

SCHEMBL7307639

CCOC(=O)Cc1ccc(-c2cccc(-c3cc(N)c(=O)n(CC)n3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.49
ADORA1 P30542 4/20 0.49
ALDH1A1 P00352 3/20 0.46
RECQL P46063 1/20 0.46
TSHR P16473 3/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SYK P43405 1/20 0.42
ADORA2A P29274 3/20 0.41
ADORA2B P29275 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL7336984 0.87 PDE4B (0.61) PDE4BADORA1TSHRHTTLMNA
SCHEMBL12027297 0.83 PDE4B (0.51) PDE4BADORA1ALDH1A1NPC1RAB9A
SCHEMBL7315712 0.80 PDE4B (0.60) PDE4BADORA1ADORA2AADORA2B
SCHEMBL8442353 0.78 PDE4B (0.82) PDE4BADORA1ADORA2AADORA2B
SCHEMBL7316395 0.77 PDE4B (0.52) PDE4BADORA1ALDH1A1RECQLHTT
SCHEMBL7315521 0.77 PDE4B (0.68) PDE4BADORA1ALDH1A1TSHRMAPK1
SCHEMBL4061285 0.76 NPC1 (0.47) PDE4BADORA1ALDH1A1NPC1RAB9A
SCHEMBL4053270 0.73 SMN1; SMN2 (0.49) PDE4BADORA1ALDH1A1HTTNPC1
SCHEMBL2826787 0.73 HDAC1 (0.48) ADORA1ALDH1A1TSHRNPC1RAB9A
SCHEMBL2824627 0.73 PDE4B (0.53) PDE4BADORA1ALDH1A1HTTNPC1

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-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed
EP-2394998-A1 3-(5-Amino-6-oxo-1,6-dihydropyridazin-3-yl)-biphenyl derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-12-14 EP disclosed