SCHEMBL8614048

SCHEMBL8614048

CCC(C)(C)Oc1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.42
PDE10A Q9Y233 4/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ATM Q13315 1/20 0.40
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ABCB1 P08183 1/20 0.35
ABCC1 P33527 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
TACR3 P29371 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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
SCHEMBL8614757 0.87 PDE10A (0.44) ACP1PDE10AKMT2AMEN1ATM
SCHEMBL8615054 0.87 PDE10A (0.55) ACP1PDE10AKMT2AMEN1ATM
SCHEMBL8613381 0.87 ACP1 (0.46) ACP1PDE10A
SCHEMBL8617748 0.86 ACP1 (0.52) ACP1KMT2AMEN1KDM4EALDH1A1
SCHEMBL8614063 0.85 PDE10A (0.46) ACP1PDE10AKMT2AMEN1ATM
SCHEMBL8613965 0.85 PDE10A (0.46) ACP1PDE10AKMT2AMEN1ATM
SCHEMBL8616368 0.84 ACP1 (0.41) ACP1PDE10AKMT2AMEN1KDM4E
SCHEMBL8617530 0.84 ACP1 (0.43) ACP1PDE10AKMT2AMEN1ATM
SCHEMBL8614159 0.84 PDE10A (0.45) ACP1PDE10AKMT2AMEN1ATM
SCHEMBL8615130 0.83 ACP1 (0.45) ACP1PDE10AKMT2AMEN1ATM

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-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
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