SCHEMBL7156642

SCHEMBL7156642

CCN(CC)CCN(CCN(CC)CC)c1ccccc1-c1nc2ncccc2n1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KMT2A Q03164 1/20 0.37
CHRM2 P08172 2/20 0.37
TMEM97 Q5BJF2 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PDE2A O00408 1/20 0.35
TOP2A P11388 1/20 0.35
BACE1 P56817 1/20 0.35
IDO1 P14902 2/20 0.35
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
USP2 O75604 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSP90AA1 P07900 2/20 0.34

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
SCHEMBL7551086 0.85 KDM4E (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7157953 0.85 PKM (0.39) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7155784 0.85 PKM (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7159519 0.82 KMT2A (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL8520300 0.81 NPC1 (0.48) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7155951 0.81 NPC1 (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7160069 0.81 KDM4E (0.37) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7156760 0.80 KMT2A (0.38) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7152128 0.77 CYP1A2 (0.36) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL7160212 0.73 MAPT (0.40) KDM4EALDH1A1HPGDTSHRHSD17B10

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