SCHEMBL6863294

SCHEMBL6863294

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PGR P06401 2/20 0.40
NR3C1 P04150 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
GAA P10253 3/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL22273557 0.86 MEN1 (0.54) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL6863856 0.85 MEN1 (0.45) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL29563853 0.81 NR3C1 (0.53) POLBMEN1KMT2APGRNR3C1
SCHEMBL22273575 0.81 NR3C1 (0.53) POLBMEN1KMT2APGRNR3C1
SCHEMBL14479687 0.77 PER2 (0.54) LMNAPOLBRECQLALDH1A1MEN1
SCHEMBL22274061 0.76 CNR2 (0.41) NR3C1
SCHEMBL29564073 0.76 CNR2 (0.41) NR3C1
SCHEMBL10558661 0.76 GRM2 (0.58)
SCHEMBL7556414 0.76 PGR (0.40) POLBALDH1A1MEN1KMT2APTPN1
SCHEMBL6857706 0.75 NPSR1 (0.39) LMNAPOLBALDH1A1MEN1KMT2A

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