SCHEMBL6383003

SCHEMBL6383003

COc1ccc(CCC(=O)C2C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2RL1 P55085 1/20 0.53
HSD17B10 Q99714 1/20 0.51
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
LMNA P02545 1/20 0.49
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALOX5 P09917 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL11728918 0.81 F2RL1 (0.57) F2RL1NFKB1NFKB2RELAFFAR1
SCHEMBL3945233 0.78 GLA (0.62) F2RL1NFKB1NFKB2RELAFFAR1
SCHEMBL19806741 0.76 DAO (0.50) F2RL1HSD17B10LMNAALDH1A1POLB
SCHEMBL2673406 0.75 NPSR1 (0.58) HSD17B10ALDH1A1SMN1; SMN2NPSR1KMT2A
SCHEMBL11168587 0.74 F2RL1 (0.49) F2RL1NFKB1NFKB2RELAFFAR1
SCHEMBL6380741 0.74 NPSR1 (0.47) LMNASMN1; SMN2NPSR1ALOX5
SCHEMBL7329940 0.72 F2RL1 (0.85) F2RL1NFKB1NFKB2RELAFFAR1
SCHEMBL9665141 0.72 MAPK1 (0.64) F2RL1NFKB1NFKB2RELAFFAR1
SCHEMBL11733081 0.72 F2RL1 (0.47) F2RL1NFKB1NFKB2RELALMNA
SCHEMBL8669485 0.71 ALDH1A1 (0.61) F2RL1NFKB1NFKB2RELALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0989982-B1 BARBITURIC ACID DERIVATIVES WITH ANTIMETASTATIC AND ANTITUMOR ACTIVITY ROCHE DIAGNOSTICS GMBH (DE) 2005-08-17 EP disclosed
US-6472396-B1 Barbituric acid derivatives, processes for their production and pharmaceutical agents containing these compounds ROCHE DIAGNOSTICS GMBH (DE) 2002-10-29 US disclosed
EP-0869947-B1 BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS ROCHE DIAGNOSTICS GMBH (DE) 2002-10-23 EP disclosed
US-6335332-B1 MATRIX METALLOPROTEASE INHIBITORS; CONTRACEPTIVES, ANTIINFLAMMATORY AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2002-01-01 US disclosed
US-6110924-A MATRIX METALLOPROTEASE INHIBITORS ROCHE DIAGNOSTICS GMBH (DE) 2000-08-29 US disclosed
EP-0869947-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS Roche Diagnostics GmbH (DE) 1998-10-14 EP disclosed
WO-1997023465-A1 NEW BARBITURIC ACID DERIVATIVES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL AGENTS CONTAINING THESE COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1997-07-03 WO disclosed