SCHEMBL2825646

SCHEMBL2825646

CCn1nc(C(=O)O)c(CCNCCc2ccccc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HTT P42858 3/20 0.40
TRPV1 Q8NER1 1/20 0.38
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 4/20 0.36
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
GALR3 O60755 1/20 0.34
NR2F2 P24468 1/20 0.34
ADORA2A P29274 1/20 0.34

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 0.88 KMT2A (0.40) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2828338 0.87 SMN1; SMN2 (0.41) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2828358 0.86 MAPT (0.37) ALDH1A1KMT2ASMN1; SMN2MAPK1MAPT
SCHEMBL2831318 0.85 PKM (0.44) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2829156 0.83 RECQL (0.40) ALDH1A1TRPV1KMT2AMEN1NPC1
SCHEMBL2829802 0.83 KMT2A (0.41) ALDH1A1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL2829010 0.83 HPGD (0.41) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2828384 0.82 SMN1; SMN2 (0.38) ALDH1A1HTTTRPV1KMT2AMEN1
SCHEMBL2825496 0.82 MAPT (0.38) ALDH1A1KMT2APOLBSMN1; SMN2LMNA
SCHEMBL2829418 0.82 MAPT (0.40) ALDH1A1KMT2AMEN1NPC1MAPT

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