SCHEMBL6938490

SCHEMBL6938490

CSC(C)CCc1ccccc1NN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CETP P11597 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MDM4 O15151 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
AOC3 Q16853 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA6 P23280 1/20 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
SCHEMBL6937591 0.82 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL6942396 0.79 TYR (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL6937909 0.78 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL6937295 0.72 ALDH1A1 (0.37) ALDH1A1GAAMAPTL3MBTL1POLB
SCHEMBL7438728 0.72 ALDH1A1 (0.46) ALDH1A1GAAMAPTL3MBTL1POLB
SCHEMBL21186437 0.72 TSHR (0.46) ALDH1A1POLB
SCHEMBL6504953 0.71 GABRA1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
Hydrochloric Acid SCHEMBL4915526 0.71 ALDH1A1 (0.44) ALDH1A1GAAMAPTL3MBTL1POLB
SCHEMBL6934825 0.70 ALOX15 (0.42) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL6934859 0.70 ALDH1A1 (0.33) SLC6A2SLC6A4SLC6A3ALDH1A1GAA

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
EP-1272456-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS Abbott Laboratories (US) 2003-01-08 EP disclosed
WO-2001079157-A1 HYDRAZIDE AND ALKOXYAMIDE ANGIOGENESIS INHIBITORS ABBOTT LABORATORIES (US) 2001-10-25 WO disclosed