SCHEMBL2828404

SCHEMBL2828404

CCn1nc(C(=O)O)c(Cc2ccc(OC)cc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
TRPV1 Q8NER1 2/20 0.41
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
ALDH1A1 P00352 5/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 2/20 0.40
PKM P14618 2/20 0.40
PTGER4 P35408 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
PLA2G2A P14555 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 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
SCHEMBL2828825 0.93 KMT2A (0.40) SMN1; SMN2ALDH1A1NPC1GAAPKM
SCHEMBL2825898 0.91 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL2828384 0.90 SMN1; SMN2 (0.38) SMN1; SMN2TRPV1ALDH1A1NPC1HTT
SCHEMBL2828338 0.86 SMN1; SMN2 (0.41) LMNASMN1; SMN2ALDH1A1NPC1GAA
SCHEMBL2828403 0.86 KMT2A (0.48) LMNAPKMHTTPLA2G2AMEN1
SCHEMBL2828838 0.85 SMN1; SMN2 (0.35) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2829010 0.85 HPGD (0.41) SMN1; SMN2ALDH1A1NPC1GAAPKM
SCHEMBL2829418 0.85 MAPT (0.40) ALDH1A1NPC1GAAPKMPTGER4
SCHEMBL1997935 0.84 SMN1; SMN2 (0.35) SMN1; SMN2TRPV1ALDH1A1GAAKDM4E
SCHEMBL2828381 0.83 KMT2A (0.37) LMNASMN1; SMN2ALDH1A1GAAPKM

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-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed