SCHEMBL7660693

SCHEMBL7660693

CCN(CC)CCN(CCN(CC)CC)c1ccc(-c2nc3cncnc3n2C(C)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.40
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
CYP1A2 P05177 12/20 0.34
CYP3A4 P08684 10/20 0.34
USP2 O75604 6/20 0.34
TSHR P16473 5/20 0.33
CYP2C9 P11712 6/20 0.33
CYP2C19 P33261 4/20 0.33
CLK4 Q9HAZ1 1/20 0.32
HTT P42858 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32

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
SCHEMBL7159199 0.88 CYP1A2 (0.37) HSD17B10ALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL7548704 0.84 HSD17B10 (0.51) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7155292 0.84 MYC (0.39) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7550218 0.84 ALDH1A1 (0.42) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7156031 0.83 MAPT (0.58) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7152128 0.81 CYP1A2 (0.36) HSD17B10ALDH1A1LMNAHPGDKDM4E
SCHEMBL7160902 0.81 ALDH1A1 (0.49) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7160138 0.79 ALDH1A1 (0.46) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL8520141 0.78 NPC1 (0.67) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL7159519 0.74 KMT2A (0.40) HSD17B10ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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