SCHEMBL2830985

SCHEMBL2830985

CCn1nc(C(=O)O)c(C(C)c2ccccc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PDE4B Q07343 4/20 0.38
TRPV1 Q8NER1 1/20 0.37
POLB P06746 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ESR2 Q92731 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
HPGD P15428 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
HTT P42858 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
SCHEMBL2825199 0.95 ADRA2A (0.40) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL2827049 0.92 KMT2A (0.39) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL2828862 0.85 KDM4C (0.38) KMT2AMAPTMEN1PDE4BSMN1; SMN2
SCHEMBL2828338 0.84 SMN1; SMN2 (0.41) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL1996275 0.83 PDE4B (0.48) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL2829802 0.82 KMT2A (0.41) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL2828825 0.82 KMT2A (0.40) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL2826863 0.81 ALDH1A1 (0.36) KMT2AMAPTMEN1ALDH1A1L3MBTL1
SCHEMBL2823459 0.80 KDM4C (0.38) PDE4BSMN1; SMN2
SCHEMBL1994384 0.80 MAPT (0.40) KMT2AMAPTMEN1ALDH1A1L3MBTL1

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