SCHEMBL9779983

SCHEMBL9779983

NN(CC(=O)O)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
MAPT P10636 1/20 0.43
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGIR P43119 1/20 0.40
PTGDR Q13258 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
KMT2A Q03164 2/20 0.39
CTBP2 P56545 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
SCHEMBL342097 0.82 MAPT (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20322974 0.79 HTR3E (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9780057 0.79 MTNR1A (0.44) PARP1ALDH1A1SMN1; SMN2RXRARXRB
SCHEMBL9779969 0.79 SCN2A (0.39) RAB9ASMN1; SMN2L3MBTL1
SCHEMBL9779999 0.79 ALDH1A1 (0.46) PARP1ALDH1A1HTTRAB9APTGIR
SCHEMBL9780014 0.79 PARP1 (0.42) PARP1ALDH1A1PTGIRPTGDRKMT2A
SCHEMBL680475 0.79 NPSR1 (0.44) ALDH1A1HTTRAB9ASMN1; SMN2KMT2A
SCHEMBL13644972 0.79 MAPT (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1120687 0.79 MAPT (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9133587 0.78 ALDH1A1 (0.47) 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-4985427-A LIPOXYGENASE INHIBITORS GLAXO GROUP LIMITED (GB) 1991-01-15 US disclosed
EP-0340030-A2 Triazine derivatives GLAXO GROUP LIMITED (GB) 1989-11-02 EP disclosed