SCHEMBL2831318

SCHEMBL2831318

CCn1nc(C(=O)O)c(CCOc2ccccc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.40
MITF O75030 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 4/20 0.38
TSHR P16473 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KDM4E B2RXH2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL2828338 0.88 SMN1; SMN2 (0.41) PKMALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL2828358 0.86 MAPT (0.37) PKMALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL2828825 0.85 KMT2A (0.40) PKMALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL2825646 0.85 ALDH1A1 (0.40) PKMALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL2829802 0.84 KMT2A (0.41) ALDH1A1KMT2ASMN1; SMN2MAPTTSHR
SCHEMBL2825496 0.83 MAPT (0.38) PKMALDH1A1KMT2ASMN1; SMN2LMNA
SCHEMBL2828404 0.82 LMNA (0.44) PKMALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL2825898 0.82 ALDH1A1 (0.51) PKMALDH1A1KMT2ANPC1SMN1; SMN2
SCHEMBL2828005 0.81 PDE4B (0.41) PKMALDH1A1KMT2ALMNAMAPT
SCHEMBL2828381 0.81 KMT2A (0.37) PKMALDH1A1KMT2ASMN1; SMN2LMNA

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