SCHEMBL8567188

SCHEMBL8567188

O=C(O)CCc1ccc(-n2ccn(-c3ccc4cnccc4c3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.43
TBXAS1 P24557 6/20 0.42
FFAR1 O14842 3/20 0.41
CYP19A1 P11511 2/20 0.41
PRMT3 O60678 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
IMPDH2 P12268 1/20 0.37
SLC22A12 Q96S37 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
SCHEMBL8560440 0.87 CCNC (0.43) MKNK2CYP19A1PRMT3CCNCCDK8
SCHEMBL30873955 0.79 CYP1A2 (0.51) TBXAS1FFAR1CYP19A1PRMT3CCNC
SCHEMBL8558675 0.77 CCNC (0.41) TBXAS1FFAR1CYP19A1PRMT3CCNC
SCHEMBL7276107 0.70 ITGB3 (0.67) FFAR1PPARDPPARA
SCHEMBL8563938 0.70 RXRA (0.43) FFAR1PPARDPPARA
SCHEMBL8561032 0.68 CCNC (0.43) PRMT3CCNCCDK8
SCHEMBL2698312 0.68 PTGS1 (0.54) CYP19A1PRMT3IMPDH2SLC22A12
SCHEMBL29518295 0.68 PTGS1 (0.54) CYP19A1PRMT3IMPDH2SLC22A12
SCHEMBL21877369 0.67 CYP19A1 (0.46) CYP19A1PRMT3IMPDH2
Hydrochloric Acid SCHEMBL111599 0.66 CYP19A1 (0.44) CYP19A1PRMT3IMPDH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612741-B1 Cyclic derivatives, medicaments containing them and process for their preparation THOMAE GMBH DR K (DE) 1998-06-10 EP disclosed
US-5612335-A ANTICOAGULANTS; COMBATING/PREVENTING DISEASES WHERE CELL AGGREGATES OCCUR OR CELL-MATRIX INTERACTIONS PLAY A PART KARL THOMAE GMBH (DE) 1997-03-18 US disclosed
US-5519036-A IMIDAZOLIDINONES, ANTICOAGULANTS, CELL AGGREGATION PREVENTION KARL THOMAE GMBH (DE) 1996-05-21 US disclosed
EP-0612741-A1 Cyclic derivatives, medicaments containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1994-08-31 EP disclosed