SCHEMBL8560440

SCHEMBL8560440

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
RPS6KA3 P51812 2/20 0.43
MKNK2 Q9HBH9 1/20 0.40
HDAC1 Q13547 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
PRMT3 O60678 2/20 0.38
PTPN1 P18031 2/20 0.37
P2RX3 P56373 1/20 0.36
GCK P35557 1/20 0.36
ROCK2 O75116 1/20 0.36
CCKAR P32238 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL8567188 0.87 MKNK2 (0.43) CCNCCDK8MKNK2CYP19A1PRMT3
SCHEMBL8561032 0.82 CCNC (0.43) CCNCCDK8RPS6KA3HDAC1CYP11B1
SCHEMBL14124388 0.74 PRMT3 (0.51) HDAC1PRMT3ROCK2MEN1KMT2A
SCHEMBL7281223 0.74 CYP11B1 (0.51) RPS6KA3CYP11B1CYP11B2MEN1KMT2A
SCHEMBL7280294 0.72 FFAR1 (0.42) RPS6KA3PTPN1
Hydrochloric Acid SCHEMBL7275608 0.72 ITGB3 (0.48)
SCHEMBL7282163 0.71 PTPN1 (0.37) RPS6KA3PTPN1
SCHEMBL22996753 0.70 RPS6KA3 (0.39) CCNCCDK8RPS6KA3HDAC1CYP11B1
SCHEMBL16198157 0.69 CYP3A4 (0.48) RPS6KA3CYP19A1MEN1KMT2A
SCHEMBL21617914 0.69 LMNA (0.60) PTPN1KMT2A

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