SCHEMBL8618644

SCHEMBL8618644

COc1ccc(F)c2c(NC(=N)NC=O)cc(-c3ccccc3C)nc12

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.34
MAPT P10636 3/20 0.34
ADORA1 P30542 2/20 0.33
CTSA P10619 2/20 0.33
ERN1 O75460 1/20 0.33
LTB4R Q15722 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CCNT1 O60563 1/20 0.32
CDK9 P50750 1/20 0.32
P2RX7 Q99572 1/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 4/20 0.32
KMT2A Q03164 4/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8619171 0.92 MAPT (0.39) ADORA3MAPTADORA1LTB4RALDH1A1
SCHEMBL8620853 0.91 ADORA3 (0.36) ADORA3MAPTADORA1LTB4RALDH1A1
SCHEMBL8617517 0.89 MAPT (0.34) ADORA3MAPTADORA1LTB4RALDH1A1
SCHEMBL8614891 0.89 NQO2 (0.34) ADORA3MAPTADORA1LTB4RMEN1
SCHEMBL8615517 0.89 ALDH1A1 (0.34) ADORA3MAPTLTB4RALDH1A1MEN1
SCHEMBL8615844 0.87 ADORA3 (0.36) ADORA3MAPTADORA1LTB4RALDH1A1
SCHEMBL8616647 0.86 KDM4E (0.38) ADORA3MAPTADORA1HTTKDM4E
SCHEMBL8613368 0.85 CDK9 (0.38) MAPTALDH1A1CCNT1CDK9MEN1
SCHEMBL8614898 0.85 NQO2 (0.34) ADORA3MAPTADORA1LTB4RMEN1
SCHEMBL8616041 0.85 ALDH1A1 (0.33) ADORA3MAPTADORA1LTB4RALDH1A1

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