SCHEMBL2829156

SCHEMBL2829156

CCn1nc(C(=O)O)c(CC(=O)OCc2ccccc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
PDE4B Q07343 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
GAA P10253 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 0.87 KMT2A (0.40) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL2828338 0.86 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL2829802 0.86 KMT2A (0.41) RECQLSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL2825496 0.85 MAPT (0.38) RECQLSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL1995355 0.84 PDE4B (0.41) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL2825646 0.83 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL2828096 0.82 SMN1; SMN2 (0.35) RECQLSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL2829010 0.82 HPGD (0.41) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL2828384 0.82 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KMT2ANPC1MAPT
SCHEMBL2828358 0.81 MAPT (0.37) SMN1; SMN2ALDH1A1KMT2AMAPTADORA2A

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