SCHEMBL8616443

SCHEMBL8616443

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.41
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PDE10A Q9Y233 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
TACR3 P29371 1/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 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
SCHEMBL8618733 0.93 LMNA (0.45) ACP1LMNASMN1; SMN2PDE10AMEN1
SCHEMBL8617872 0.89 ACP1 (0.42) ACP1LMNASMN1; SMN2PDE10AMEN1
SCHEMBL8617530 0.89 ACP1 (0.43) ACP1LMNASMN1; SMN2PDE10AMEN1
SCHEMBL8614870 0.88 ACP1 (0.41) ACP1LMNASMN1; SMN2PDE10AMEN1
SCHEMBL8617748 0.88 ACP1 (0.52) ACP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8620930 0.86 PDE10A (0.44) ACP1SMN1; SMN2PDE10AMEN1KMT2A
SCHEMBL8615054 0.85 PDE10A (0.55) ACP1LMNASMN1; SMN2PDE10AMEN1
SCHEMBL8619973 0.84 TACR3 (0.34) ACP1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL8615851 0.84 ACP1 (0.36) ACP1SMN1; SMN2PDE10AMEN1KMT2A
SCHEMBL8613181 0.83 ACP1 (0.38) ACP1SMN1; SMN2PDE10AMEN1KMT2A

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