SCHEMBL7185737

SCHEMBL7185737

O=C(O)C(=O)CC(=O)c1cccn1Cc1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAP3K14 Q99558 1/20 0.44
FEN1 P39748 7/20 0.43
ERCC5 P28715 6/20 0.43
HAO1 Q9UJM8 1/20 0.43
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
PTPN1 P18031 1/20 0.41
KMT2A Q03164 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PPARA Q07869 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL7924311 0.83 LMNA (0.66) LMNAMAP3K14FEN1ERCC5KMT2A
SCHEMBL7188720 0.83 ERCC5 (0.50) LMNAMAP3K14FEN1ERCC5EPHX2
SCHEMBL7195321 0.83 HDAC3 (0.47) LMNAMAP3K14FEN1ERCC5HAO1
SCHEMBL7195496 0.83 PTPN1 (0.50) LMNAMAP3K14FEN1ERCC5PTPN1
SCHEMBL7190690 0.81 CNR2 (0.54) FEN1ERCC5HAO1PTPN1CNR1
SCHEMBL7186087 0.81 CNR2 (0.45) LMNAMAP3K14FEN1ERCC5PTPN1
SCHEMBL7191689 0.80 CNR2 (0.53) LMNAMAP3K14FEN1ERCC5HAO1
SCHEMBL7195627 0.78 PTPN1 (0.44) LMNAMAP3K14FEN1ERCC5EPHX2
SCHEMBL7924220 0.76 FEN1 (0.42) LMNAMAP3K14FEN1ERCC5EPHX2
SCHEMBL7192251 0.74 CA12 (0.43) LMNAMAP3K14FEN1ERCC5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1083897-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-01-02 EP claimed
US-6306891-B1 INHIBITORS OF HIV INTEGRASE AND INHIBITORS OF HIV REPLICATION. THESE COMPOUNDS ARE USEFUL IN THE PREVENTION OR TREATMENT OF INFECTION BY HIV TREATMENT OF AIDS, EITHER AS COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS MERCK & CO., INC. 2001-10-23 US claimed
EP-1083897-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-21 EP claimed
WO-1999062513-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO claimed
EP-1083897-A4 HIV INTEGRASE INHIBITORS MERCK & CO INC (US) 2003-01-02 EP disclosed
US-6306891-B1 INHIBITORS OF HIV INTEGRASE AND INHIBITORS OF HIV REPLICATION. THESE COMPOUNDS ARE USEFUL IN THE PREVENTION OR TREATMENT OF INFECTION BY HIV TREATMENT OF AIDS, EITHER AS COMPOUNDS, PHARMACEUTICALLY ACCEPTABLE SALTS MERCK & CO., INC. 2001-10-23 US disclosed
EP-1083897-A1 HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2001-03-21 EP disclosed
WO-1999062513-A1 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 1999-12-09 WO disclosed