SCHEMBL8614352

SCHEMBL8614352

COc1ccc(OC)c2c(NC(=N)NC=O)cc(-c3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.43
MAPT P10636 6/20 0.38
HPGD P15428 5/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
TSHR P16473 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ATM Q13315 2/20 0.38
USP2 O75604 1/20 0.38
IDO1 P14902 3/20 0.37
TDO2 P48775 3/20 0.37
AGTR1 P30556 1/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACACA Q13085 1/20 0.36

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
SCHEMBL8614038 0.89 PDE10A (0.39) PDE10AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL8616478 0.89 PDE10A (0.39) PDE10AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL8616318 0.88 BACE1 (0.41) PDE10AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL8619262 0.88 BACE1 (0.41) PDE10AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL8619171 0.86 MAPT (0.39) MAPTALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL8617718 0.86 PDE10A (0.56) PDE10AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL8620632 0.86 HPGD (0.44) PDE10AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL8614767 0.85 PDE10A (0.36) PDE10AMAPTHPGDALDH1A1KDM4E
SCHEMBL8614881 0.84 TDO2 (0.43) PDE10AMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL8617947 0.84 MEN1 (0.43) MAPTHPGDALDH1A1SMN1; SMN2KDM4E

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