SCHEMBL6863864

SCHEMBL6863864

CN(c1ccc(O)c(C#N)c1)S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PGR P06401 1/20 0.39
CSF1R P07333 1/20 0.38
MAPT P10636 2/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 2/20 0.37
PTK2 Q05397 1/20 0.37
XDH P47989 1/20 0.36
NR1H3 Q13133 1/20 0.36
CYP19A1 P11511 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
F11 P03951 1/20 0.35

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
SCHEMBL1628532 0.82 NPSR1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2PGR
SCHEMBL6861935 0.80 MAPT (0.58) ALDH1A1MAPTLMNANR1H3HTT
SCHEMBL10933249 0.79 ALDH1A1 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6862061 0.78 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2PGR
SCHEMBL6863856 0.75 MEN1 (0.45) MEN1KMT2AALDH1A1SMN1; SMN2PGR
SCHEMBL10938598 0.75 GAA (0.47) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6861888 0.72 PGR (0.36) MEN1KMT2AALDH1A1SMN1; SMN2PGR
SCHEMBL2188253 0.71 HSD17B1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL10941939 0.71 HSD17B10 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL1291291 0.70 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973730-B1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-06-16 EP disclosed
US-6294531-B1 AMINOALKANOLS AS BLOOD COAGULANTS SMITHKLINE BEECHAM CORPORATION 2001-09-25 US disclosed
EP-0973730-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-26 EP disclosed
WO-1998045255-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-15 WO disclosed