SCHEMBL8620868

SCHEMBL8620868

N=C(NC=O)Nc1cc(-c2ccccc2OC2CCCC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 8/20 0.42
PDE10A Q9Y233 1/20 0.38
F10 P00742 4/20 0.37
PLG P00747 4/20 0.37
PLAU P00749 4/20 0.37
PLAT P00750 4/20 0.37
F2 P00734 3/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSP90AA1 P07900 1/20 0.34
ATM Q13315 1/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
PDE5A O76074 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4C Q08493 1/20 0.34
TACR3 P29371 1/20 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
SCHEMBL8617804 0.98 ACP1 (0.42) ACP1PDE10AF10PLGPLAU
SCHEMBL8617748 0.84 ACP1 (0.52) ACP1KDM4EMEN1KMT2ATACR3
SCHEMBL8613391 0.83 ACP1 (0.40) ACP1KDM4EMEN1KMT2A
SCHEMBL8619735 0.83 PDE4B (0.35) ACP1F10PLGPLAUPLAT
SCHEMBL8617830 0.82 ACP1 (0.46) ACP1PLGPLAUPLATF2
SCHEMBL8618733 0.81 LMNA (0.45) ACP1PDE10AKDM4EMEN1KMT2A
SCHEMBL8615054 0.81 PDE10A (0.55) ACP1PDE10AKDM4EMEN1KMT2A
SCHEMBL8613381 0.81 ACP1 (0.46) ACP1PDE10A
SCHEMBL8612634 0.81 ACP1 (0.40) ACP1MEN1KMT2AATM
SCHEMBL8617721 0.81 CA2 (0.38) ACP1KDM4EMEN1KMT2ATACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed