SCHEMBL7160215

SCHEMBL7160215

CCN(CC)CCN(CCN(CC)CC)c1cccc(-c2nc3ncncc3n2C(C)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
TERT O14746 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
GRIN2B Q13224 2/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
MAPK1 P28482 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
AOX1 Q06278 1/20 0.31

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
SCHEMBL7155292 0.88 MYC (0.39) MYCHDAC1HDAC8HDAC6TERT
SCHEMBL7156760 0.86 KMT2A (0.38) HDAC1HDAC8HDAC6TERTTP53
SCHEMBL7551005 0.86 MYC (0.42) MYCHDAC1HDAC8HDAC6MAPT
SCHEMBL7159199 0.85 CYP1A2 (0.37) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL7153769 0.83 HDAC1 (0.39) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL7159278 0.81 NPC1 (0.43) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL7155417 0.80 HDAC1 (0.48) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL8518781 0.77 NPC1 (0.52) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL8520036 0.76 KDM4E (0.48) HDAC1HDAC8HDAC6TP53MAPT
SCHEMBL7159220 0.74 CYP1A2 (0.44) HDAC1HDAC8HDAC6TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6534521-B2 Useful in the treatment of inflammation, atherosclerosis, restenosis, and immune disorders such as arthritis and transplant rejection MILLENNIUM PHARMACEUTICALS, INC. 2003-03-18 US disclosed
US-6348487-B1 ANTIINFLAMMATORY AGENTS, ATHEROSCLEROSIS, RESTINOSIS AND IMMUNE DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2002-02-19 US disclosed
US-6184235-B1 MONOCYTE CHEMOATTRACTANT PROTEIN-1 (MCP-1) ANTAGONIST FOR TREATMENT OF INFLAMMATORY DISEASES, ATHEROSCLEROSIS, RESTENOSIS, AUTOIMMUNE DISEASES, ORGAN TRANSPLANT REJECTION IN MAMMALS WARNER-LAMBERT COMPANY 2001-02-06 US disclosed