SCHEMBL5607208

SCHEMBL5607208

CCn1nc(C(=O)OCC(=O)N(C)C)cc(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OCCN(C)C)cc(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OCCOc2ccccc2)cc(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 3/20 0.34
MEN1 O00255 2/20 0.34
USP2 O75604 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.33
LYN P07948 1/20 0.33
SRC P12931 1/20 0.33
BTK Q06187 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 3/20 0.33

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
SCHEMBL1999854 0.90 NPC1 (0.39) ALDH1A1SMN1; SMN2KMT2AMAPTHPGD
SCHEMBL2001500 0.89 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL2001982 0.89 POLR1A (0.40) POLR1AALDH1A1KDM4EMAPTADORA1
SCHEMBL2000585 0.81 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL1997921 0.81 CDC25B (0.44) ALDH1A1SMN1; SMN2KMT2AKDM4ETP53
SCHEMBL1995464 0.79 KMT2A (0.46) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL2001626 0.78 TRPV1 (0.39) ALDH1A1SMN1; SMN2KMT2AMEN1TP53
SCHEMBL2000588 0.78 TRPV1 (0.38) ALDH1A1SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL1998635 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KMT2ATP53MAPT
SCHEMBL1999230 0.75 AURKA (0.42) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO disclosed