SCHEMBL8619253

SCHEMBL8619253

CC(C)CC(C)c1ccccc1-c1cc(NC(=N)NC=O)c2ccccc2n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 3/20 0.37
PDE10A Q9Y233 2/20 0.35
ATM Q13315 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
CACNA2D1 P54289 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL8615156 0.91 ACP1 (0.37) ACP1PDE10AATMMEN1KMT2A
SCHEMBL8617284 0.89 PDE10A (0.38) ACP1PDE10AATMMEN1KMT2A
SCHEMBL8613181 0.89 ACP1 (0.38) ACP1PDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL8615851 0.87 ACP1 (0.36) ACP1PDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL8617872 0.85 ACP1 (0.42) ACP1PDE10AATMMEN1KMT2A
SCHEMBL8616012 0.84 PDE10A (0.40) ACP1PDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL8617791 0.82 ACP1 (0.38) ACP1MEN1KMT2AABCB1ABCC1
SCHEMBL8620930 0.82 PDE10A (0.44) ACP1PDE10AATMMEN1KMT2A
SCHEMBL8616287 0.81 PDE10A (0.49) ACP1PDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL8620892 0.81 HTT (0.47) ACP1MEN1KMT2ASMN1; SMN2GALR3

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