SCHEMBL7155292

SCHEMBL7155292

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3ncncc3n2C(C)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
TERT O14746 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
GSK3B P49841 1/20 0.31
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HDAC6 Q9UBN7 2/20 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
SCHEMBL7160215 0.88 MYC (0.35) MYCLMNAHSD17B10MAPTKDM4E
SCHEMBL7157946 0.85 KDM4E (0.48) MYCALDH1A1LMNAHSD17B10MAPT
SCHEMBL7553956 0.84 MYC (0.47) MYCALDH1A1LMNAHSD17B10MAPT
SCHEMBL7660693 0.84 HSD17B10 (0.40) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL7159519 0.83 KMT2A (0.40) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL7160902 0.81 ALDH1A1 (0.49) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL7156031 0.79 MAPT (0.58) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL7160138 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL8520141 0.75 NPC1 (0.67) ALDH1A1LMNAHSD17B10MAPTSMN1; SMN2
SCHEMBL7551005 0.72 MYC (0.42) MYCALDH1A1LMNAHSD17B10MAPT

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