SCHEMBL6645368

SCHEMBL6645368

O=C(NCc1ccc(F)cc1)c1nc(C2CC(OCc3ccccc3)CN2C(=O)c2ccccc2)nc(O)c1O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BDKRB2 P30411 2/20 0.39
ALDH1A1 P00352 5/20 0.38
PTGER4 P35408 1/20 0.38
TLR2 O60603 1/20 0.37
TLR1 Q15399 1/20 0.37
RECQL P46063 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CALCA P06881 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
PRKAA2 P54646 1/20 0.36
HPGD P15428 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
SCHEMBL5122193 1.00 LMNA (0.41) LMNAMAPTL3MBTL1BDKRB2ALDH1A1
SCHEMBL5127802 0.93 LMNA (0.43) LMNAMAPTL3MBTL1ALDH1A1PTGER4
SCHEMBL5130380 0.91 LMNA (0.40) LMNAMAPTL3MBTL1BDKRB2ALDH1A1
SCHEMBL5114844 0.90 PTGER4 (0.39) LMNAALDH1A1PTGER4TLR2TLR1
SCHEMBL5123596 0.89 LMNA (0.43) LMNAMAPTL3MBTL1ALDH1A1PTGER4
SCHEMBL5117196 0.88 LMNA (0.39) LMNAMAPTL3MBTL1ALDH1A1PTGER4
SCHEMBL13999142 0.88 TP53 (0.43) LMNAMAPTL3MBTL1ALDH1A1RECQL
SCHEMBL14013053 0.88 LMNA (0.36) LMNAMAPTL3MBTL1BDKRB2ALDH1A1
SCHEMBL5118228 0.87 LMNA (0.42) LMNAMAPTL3MBTL1ALDH1A1PTGER4
SCHEMBL5121491 0.87 VHL (0.41) LMNAALDH1A1PTGER4TLR2TLR1

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-1441734-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2004-08-04 EP claimed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO claimed
EP-1441734-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO disclosed