SCHEMBL9699686

SCHEMBL9699686

CCN(CC)c1ccc(C(c2ccc(N(CC)CC)cc2)c2ccc(N(CC)CC)cc2)cc1.CN(C)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.55
TSHR P16473 5/20 0.50
CYP3A4 P08684 3/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
PHLPP2 Q6ZVD8 1/20 0.50
GRK6 P43250 1/20 0.50
ALDH1A1 P00352 8/20 0.49
PSMD14 O00487 1/20 0.48
RECQL P46063 1/20 0.48
GFER P55789 1/20 0.48
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
CNR2 P34972 7/20 0.45
GAA P10253 3/20 0.41

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
SCHEMBL5011804 1.00 SLC2A1 (0.55) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL5007896 1.00 SLC2A1 (0.55) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL131813 0.91 ALDH1A1 (0.56) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL16689642 0.89 SLC2A1 (0.49) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL22415867 0.88 SLC2A1 (0.45) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL1874999 0.87 ALDH1A1 (0.61) TSHRCYP3A4MAPK1TDP1L3MBTL1
SCHEMBL12374444 0.86 GRK6 (0.49) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL20111147 0.86 SLC2A1 (0.46) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL61574 0.84 SLC2A1 (0.71) SLC2A1TSHRCYP3A4MAPK1TDP1
SCHEMBL9626237 0.84 SLC2A1 (0.71) SLC2A1TSHRCYP3A4MAPK1TDP1

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
US-5085669-A Against oxidation in air HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed