SCHEMBL6863856

SCHEMBL6863856

CS(=O)(=O)N(Cc1ccccc1)c1ccc(O)c(C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MCL1 Q07820 2/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL6863294 0.85 LMNA (0.45) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL6864499 0.83 NR3C1 (0.57) ALDH1A1LMNAMCL1NPSR1MAPT
SCHEMBL14479687 0.77 PER2 (0.54) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL6857706 0.77 NPSR1 (0.39) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL31201812 0.76 ESR1 (0.65) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL7556414 0.76 PGR (0.40) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL6863864 0.75 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL12808838 0.74 ALDH1A1 (0.60) MEN1KMT2APTPN1PTPN6PTPN11
SCHEMBL22273557 0.71 MEN1 (0.54) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL22273579 0.71 NR3C1 (0.53) MEN1KMT2AALDH1A1LMNAPOLB

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 5 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
WO-2002072760-A2 PCRA HELICASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-09-19 WO 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