SCHEMBL4674138

SCHEMBL4674138

O=C(C=C(O)c1nc[nH]n1)c1occ(Cl)c1Cc1ccncc1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4671039 0.89 LMNA (0.31) LMNA
SCHEMBL4673674 0.88
SCHEMBL4672755 0.88 ALDH1A1 (0.32) LMNA
SCHEMBL4672699 0.86 CYP11B1 (0.32) LMNA
SCHEMBL4672105 0.84 LMNA (0.31) LMNANPSR1
SCHEMBL4674960 0.84 LMNA (0.31) LMNANPSR1
SCHEMBL4672579 0.84 ABCB1 (0.35)
SCHEMBL4671359 0.82 GPR52 (0.35) LMNA
SCHEMBL4678040 0.82 CYP11B1 (0.34)
SCHEMBL5899349 0.82 CYP11B1 (0.33) LMNA

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-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed