SCHEMBL6940084

SCHEMBL6940084

CCCC(C)Cc1ccccc1NN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
AOC3 Q16853 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
POLB P06746 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL7637842 0.81 TSHR (0.39) TAS1R3TAS1R1POLBSIGMAR1TSHR
SCHEMBL6504953 0.80 GABRA1 (0.47) ALDH1A1MAPTGAAAOC3CA1
SCHEMBL6938711 0.77 ALDH1A1 (0.42) TAS1R3TAS1R1ALDH1A1MAPTGAA
SCHEMBL6937909 0.76 ALDH1A1 (0.39) TAS1R3TAS1R1ALDH1A1MAPTGAA
SCHEMBL6938998 0.76 ALDH1A1 (0.41) TAS1R3TAS1R1ALDH1A1MAPTGAA
SCHEMBL6940133 0.74 AOC3 (0.52) AOC3NOS3NOS1NOS2L3MBTL1
SCHEMBL7438728 0.74 ALDH1A1 (0.46) TAS1R3TAS1R1ALDH1A1MAPTGAA
SCHEMBL14139354 0.73 L3MBTL1 (0.36) TAS1R3TAS1R1POLBL3MBTL1KDM4E
SCHEMBL20960316 0.73 TAS1R3 (0.33) TAS1R3TAS1R1
SCHEMBL844631 0.73 ALDH1A1 (0.63) TAS1R3TAS1R1ALDH1A1MAPTGAA

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