SCHEMBL9795668

SCHEMBL9795668

CC(C(=O)O)N(N)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.45
HTR3B O95264 1/20 0.45
HTR3A P46098 1/20 0.45
HTR3D Q70Z44 1/20 0.45
HTR3C Q8WXA8 1/20 0.45
RORC P51449 2/20 0.40
OGG1 O15527 1/20 0.40
PARP1 P09874 1/20 0.40
SLC6A9 P48067 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL29173928 0.82 SLC6A2 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2721666 0.81 ALDH1A1 (0.42) TP53
SCHEMBL1983878 0.81 ALDH1A1 (0.42) TP53
SCHEMBL9796053 0.81 SCN2A (0.43) TP53MAPK1HPGD
SCHEMBL14404368 0.79 HTR3E (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11793320 0.78 S1PR1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9795736 0.78 SIGMAR1 (0.48) TP53
SCHEMBL10794729 0.76 HTT (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL30711732 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27033485 0.74 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-5023255-A Triazine derivatives; inhibitors exzyme 5-lipoxygenase GLAXO GROUP LIMITED (GB) 1991-06-11 US disclosed
EP-0388165-A2 Chemical compounds GLAXO GROUP LIMITED (GB) 1990-09-19 EP disclosed