SCHEMBL9313154

SCHEMBL9313154

CC1(C)CC(=O)Nc2cc(NC(=O)c3ccncc3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
GAA P10253 1/20 0.49
RARB P10826 2/20 0.47
RARG P13631 2/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
AHR P35869 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL9379480 0.88 BACE1 (0.52) TNKSTNKS2RARBRARGKDM4E
SCHEMBL7276718 0.87 RARB (0.44) TNKSTNKS2GAARARBRARG
SCHEMBL9314264 0.87 MEN1 (0.53) TNKSTNKS2RARBRARGKDM4E
SCHEMBL9312256 0.87 RARB (0.51) TNKSTNKS2RARBRARGMAPK1
SCHEMBL9312791 0.86 TNKS (0.49) TNKSTNKS2RARBRARGLMNA
SCHEMBL9314204 0.86 RARB (0.44) TNKSTNKS2GAARARBRARG
SCHEMBL9314211 0.86 MEN1 (0.50) TNKSTNKS2RARBRARGLMNA
SCHEMBL9866488 0.86 TNKS (0.52) TNKSTNKS2RARBRARGKDM4E
SCHEMBL9865756 0.85 MEN1 (0.55) TNKSTNKS2RARBRARGLMNA
SCHEMBL9865203 0.84 CRBN (0.47) TNKSTNKS2GAARARBRARG

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
US-5373019-A Pharmaceutical lactam compositions for inhibition of erythrocyte and thrombocyte aggregation BOEHRINGER MANNHEIM GMBH (DE) 1994-12-13 US disclosed
US-4985448-A Ureidoindoles, pharmaceutical compositions and methods for erythrocyte and thrombocyte aggregation inhibition BOEHRINGER MANNHEIM GMBH (DE) 1991-01-15 US disclosed
EP-0327986-A2 Medicaments containing lactams, substituted lactams and process for their preparation Roche Diagnostics GmbH (DE) 1989-08-16 EP disclosed