SCHEMBL9435954

SCHEMBL9435954

CC(=O)Nc1ccc(-c2nc(S)[nH]c2-c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
HPGD P15428 5/20 0.48
MAPT P10636 4/20 0.48
RXFP1 Q9HBX9 2/20 0.48
XDH P47989 1/20 0.46
PDE5A O76074 1/20 0.45
PDE1A P54750 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE3B Q13370 1/20 0.45
PDE1C Q14123 1/20 0.45
PDE3A Q14432 1/20 0.45
PRNP P04156 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL29622965 0.84 KDM4E (0.58) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL29623104 0.82 KDM4E (0.57) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL4551617 0.79 KDM4E (0.67) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL6466096 0.74 RAF1 (0.68) KMT2AALDH1A1KDM4EHPGDGAA
SCHEMBL9666048 0.74 MAPK13 (0.49) SMN1; SMN2L3MBTL1MEN1KMT2AALDH1A1
SCHEMBL19868852 0.73 MAPK11 (0.70) SMN1; SMN2MEN1KMT2AALDH1A1KDM4E
SCHEMBL15676771 0.73 SMN1; SMN2 (0.55) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL28483060 0.72 KMT2A (0.56) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL3818831 0.71 SMN1; SMN2 (1.00) SMN1; SMN2HTTL3MBTL1MEN1KMT2A
SCHEMBL10726628 0.71 SMN1; SMN2 (0.67) SMN1; SMN2HTTL3MBTL1MEN1KMT2A

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-0231622-B1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORP (US) 1994-08-24 EP disclosed
EP-0231622-A2 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-08-12 EP disclosed
US-4263311-A ANTIARTHRITIC AGENTS SMITHKLINE CORPORATION (US) 1981-04-21 US disclosed