SCHEMBL8617872

SCHEMBL8617872

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.42
PDE10A Q9Y233 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 2/20 0.36
TACR3 P29371 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34

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) ACP1PDE10ASMN1; SMN2LMNAMEN1
SCHEMBL8614870 0.91 ACP1 (0.41) ACP1PDE10ASMN1; SMN2LMNAMEN1
SCHEMBL8618733 0.90 LMNA (0.45) ACP1PDE10ASMN1; SMN2LMNAMEN1
SCHEMBL8616443 0.89 ACP1 (0.41) ACP1PDE10ASMN1; SMN2LMNAMEN1
SCHEMBL8620930 0.88 PDE10A (0.44) ACP1PDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL8617748 0.85 ACP1 (0.52) ACP1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8619253 0.85 ACP1 (0.37) ACP1PDE10ASMN1; SMN2MEN1KMT2A
SCHEMBL8615054 0.84 PDE10A (0.55) ACP1PDE10ASMN1; SMN2LMNAMEN1
SCHEMBL8614063 0.83 PDE10A (0.46) ACP1PDE10ASMN1; SMN2LMNAMEN1
SCHEMBL8615130 0.83 ACP1 (0.45) ACP1PDE10ASMN1; SMN2LMNAMEN1

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