SCHEMBL2829010

SCHEMBL2829010

CCn1nc(C(=O)O)c(Cc2cccc(C)c2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
PDE4B Q07343 4/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.35

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 0.92 KMT2A (0.40) ALDH1A1KMT2ANPC1GAAPKM
SCHEMBL2829418 0.91 MAPT (0.40) ALDH1A1KMT2ANPC1GAAPKM
SCHEMBL2825898 0.90 ALDH1A1 (0.51) ALDH1A1KMT2ANPC1GAAPKM
SCHEMBL2829411 0.89 TRPV1 (0.43) ALDH1A1KMT2ANPC1GAAPKM
SCHEMBL2825256 0.89 ALDH1A1 (0.38) ALDH1A1KMT2ANPC1GAAPKM
SCHEMBL2828384 0.86 SMN1; SMN2 (0.38) ALDH1A1KMT2ANPC1PDE4BMAPT
SCHEMBL2828338 0.86 SMN1; SMN2 (0.41) HPGDALDH1A1KMT2ANPC1GAA
SCHEMBL2828404 0.85 LMNA (0.44) HPGDALDH1A1KMT2ANPC1GAA
SCHEMBL2828838 0.85 SMN1; SMN2 (0.35) HPGDALDH1A1KMT2ANPC1PDE4B
SCHEMBL1997935 0.83 SMN1; SMN2 (0.35) ALDH1A1KMT2AGAAPDE4BMAPT

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