SCHEMBL6686594

SCHEMBL6686594

N=C(N)C(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A2 O15244 2/20 0.44
SLC47A1 Q96FL8 2/20 0.44
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 2/20 0.36
SLC22A1 O15245 1/20 0.36
NFKB1 P19838 1/20 0.36
STAT6 P42226 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35

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
Hydrochloric Acid SCHEMBL7111836 0.71 MAPT (0.44) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL7643214 0.70 SLC22A2 (0.48) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL1238272 0.69 ALDH1A1 (0.68) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL1238032 0.67 ALDH1A1 (0.42) SLC22A2SLC47A1ALDH1A1GRIN2DGRIN3B
SCHEMBL4027679 0.66 SLC22A2 (0.48) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL19454782 0.66 SLC22A2 (0.48) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL1200520 0.66 SLC22A2 (0.62) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL3645063 0.65 ALDH1A1 (0.50) SLC22A2SLC47A1MAPTALDH1A1NPC1
SCHEMBL18397921 0.65 ALDH1A1 (0.50) SLC22A2SLC47A1MAPTALDH1A1NPC1
Hydrochloric Acid SCHEMBL1238887 0.65 LMNA (0.43) SLC22A2SLC47A1MAPTALDH1A1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004065305-A1 NON-TOXIC CORROSION-PROTECTION PIGMENTS BASED ON MANGANESE UNIVERSITY OF DAYTON (US) 2004-08-05 WO disclosed