SCHEMBL10599239

SCHEMBL10599239

CCN(CCO)C(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.57
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
NPSR1 Q6W5P4 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
HSD17B10 Q99714 2/20 0.48
MAPT P10636 1/20 0.47
GFER P55789 1/20 0.47
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
GAA P10253 2/20 0.46
APP P05067 1/20 0.46
HCAR3 P49019 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
TSHR P16473 2/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
SARM1 Q6SZW1 1/20 0.45

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
SCHEMBL4745639 0.91 ALDH1A1 (0.52) HTTALDH1A1KDM4ELMNANPSR1
Nikethamide SCHEMBL29754232 0.89 HTT (0.65) HTTALDH1A1KDM4ELMNANPSR1
Nikethamide SCHEMBL246456 0.89 HTT (0.65) HTTALDH1A1KDM4ELMNANPSR1
Nikethamide SCHEMBL28425770 0.87 HTT (0.63) HTTALDH1A1KDM4ELMNANPSR1
Nikethamide SCHEMBL2477607 0.87 HTT (0.63) HTTALDH1A1KDM4ELMNANPSR1
Nikethamide SCHEMBL11145071 0.84 HTT (0.64) HTTALDH1A1KDM4ELMNANPSR1
SCHEMBL28527737 0.83 HTT (0.57) HTTALDH1A1KDM4ELMNANPSR1
Nitric Acid SCHEMBL3871300 0.82 HTT (0.45) HTTALDH1A1KDM4ELMNANPSR1
SCHEMBL14855190 0.82 HTT (0.61) HTTALDH1A1KDM4ELMNANPSR1
Nikethamide SCHEMBL5964875 0.82 F7 (0.67) HTTALDH1A1KDM4ELMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0161422-B1 ALKANOLAMINE DERIVATIVES AND PLATELET AGGREGATION INHIBITORS CONTAINING THE SAME AS AN ACTIVE INGREDIENT TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1989-03-01 EP disclosed
US-4619938-A Fatty acid derivatives of aminoalkyl nicotinic acid esters and platelet aggregation inhibitors TERUMO KABUSHIKI KAISHA (JP) 1986-10-28 US disclosed
EP-0161422-A1 Alkanolamine derivatives and platelet aggregation inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-11-21 EP disclosed