SCHEMBL4677346

SCHEMBL4677346

CCn1nc(-c2ccccc2)c(C(C)=O)c(Nc2ccc3nc(C)ccc3c2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.67
KDM1A O60341 1/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
P2RX3 P56373 2/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 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
SCHEMBL4706461 0.88 PDE4B (0.74) PDE4BSMN1; SMN2
SCHEMBL4678908 0.87 PDE4B (0.67) PDE4BNPC1RAB9ASMN1; SMN2P2RX3
SCHEMBL3039908 0.86 PDE4B (0.66) PDE4BSMN1; SMN2HPGD
SCHEMBL3038914 0.84 PDE4B (0.73) PDE4BSMN1; SMN2
SCHEMBL3039579 0.83 PDE4B (0.67) PDE4BSMN1; SMN2
SCHEMBL4707595 0.83 PDE4B (0.82) PDE4BRAB9ASMN1; SMN2
SCHEMBL4706133 0.83 PDE4B (0.85) PDE4BSMN1; SMN2
SCHEMBL4706123 0.82 PDE4B (0.71) PDE4BKDM4ESMN1; SMN2
SCHEMBL3033464 0.82 PDE4B (0.60) PDE4BRAB9AKDM4ESMN1; SMN2POLB
SCHEMBL4708875 0.82 PDE4B (0.70) PDE4BSMN1; SMN2

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