SCHEMBL6450280

SCHEMBL6450280

C=CCOc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.38
PIK3CD O00329 1/20 0.38
POLB P06746 1/20 0.35
CKS1B P61024 1/20 0.35
SKP1 P63208 1/20 0.35
SKP2 Q13309 1/20 0.35
DTYMK P23919 2/20 0.35
ACHE P22303 2/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
MAPK1 P28482 1/20 0.34
MAP4K4 O95819 1/20 0.34
TGM2 P21980 3/20 0.34
F13A1 P00488 2/20 0.34
TGM1 P22735 2/20 0.34
NR1H2 P55055 1/20 0.34
MAPT P10636 1/20 0.34
GRM5 P41594 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL6455362 0.82 PIK3CD (0.42) P2RX7PIK3CDPOLBCKS1BSKP1
SCHEMBL6913306 0.75 PIK3CD (0.36) PIK3CDTGM2F13A1TGM1NR1H2
SCHEMBL2898726 0.73 MAPK1 (0.40) POLBDTYMKMAPK1TGM2F13A1
SCHEMBL1049753 0.73 HDAC1 (0.50) POLBDTYMKACHEMAPK1TP53
SCHEMBL3401678 0.72 NR1H2 (0.47) P2RX7PIK3CDPOLBDTYMKACHE
SCHEMBL7167938 0.72 TLR9 (0.39)
SCHEMBL1344233 0.71 NR1H2 (0.38) DTYMKMAPK1TGM2F13A1TGM1
SCHEMBL6895341 0.71 GPR119 (0.45)
SCHEMBL7164782 0.70 KDM1A (0.51) P2RX7PIK3CDPARP1PARP2MAPK1
SCHEMBL25282066 0.70 CHRM4 (0.46) POLBCKS1BSKP1SKP2PARP1

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-1090012-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2005-04-06 EP disclosed
US-6562823-B1 Inhibition of farnesyl-protein transferase has been shown to block the growth of Ras-transformed cells in soft agar MERCK & CO., INC. 2003-05-13 US disclosed
EP-1090012-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-11 EP disclosed
WO-2000001702-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-01-13 WO disclosed