SCHEMBL4678300

SCHEMBL4678300

CCn1nc(C(=O)O)c(C(C)=O)c(Nc2cccc(Cl)c2)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.53
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
RIPK1 Q13546 1/20 0.40
KDM1A O60341 1/20 0.40
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
EGFR P00533 1/20 0.39
PKM P14618 1/20 0.39
AKR1B1 P15121 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL3033331 0.88 ALDH1A1 (0.55) PDE4BRAB9ASMN1; SMN2POLBMAPT
SCHEMBL4058811 0.85 PDE4B (0.70) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL4707865 0.84 PDE4B (0.62) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL4706084 0.82 PDE4B (0.62) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL3033443 0.82 PDE4B (0.59) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL4708479 0.81 PDE4B (0.58) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL4706986 0.80 PDE4B (0.57) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL1652702 0.80 PDE4B (0.52) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL3022253 0.80 PDE4B (0.50) PDE4BRAB9ASMN1; SMN2NPC1POLB
SCHEMBL4707672 0.80 PDE4B (0.47) PDE4BRAB9ASMN1; SMN2NPC1POLB

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
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP claimed