SCHEMBL8614870

SCHEMBL8614870

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.41
PDE10A Q9Y233 2/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ATM Q13315 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CACNA2D1 P54289 1/20 0.36
TACR3 P29371 1/20 0.35
HTT P42858 1/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 2/20 0.35
MAPK1 P28482 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
SCHEMBL8617530 0.93 ACP1 (0.43) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8617872 0.91 ACP1 (0.42) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8618733 0.89 LMNA (0.45) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8616443 0.88 ACP1 (0.41) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8617284 0.86 PDE10A (0.38) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8614063 0.85 PDE10A (0.46) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8615054 0.85 PDE10A (0.55) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8620384 0.84 MCHR1 (0.36) MEN1KMT2AADORA3ADORA1KDM4E
SCHEMBL8620930 0.84 PDE10A (0.44) ACP1PDE10AMEN1KMT2AATM
SCHEMBL8613965 0.84 PDE10A (0.46) ACP1PDE10AMEN1KMT2AATM

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