SCHEMBL6862282

SCHEMBL6862282

COc1ccc(S(=O)(=O)NC2CC2)c(Cl)c1C#N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.64
MCOLN3 Q8TDD5 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
TP53 P04637 2/20 0.47
CASP1 P29466 1/20 0.47
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSC P53634 2/20 0.45
CTSB P07858 1/20 0.45
MAPK1 P28482 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
BRD4 O60885 2/20 0.44
BRD3 Q15059 2/20 0.44
BRD2 P25440 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL6862266 0.78 TRPV4 (0.50) ALDH1A1MCOLN3L3MBTL1MAPK1POLB
SCHEMBL6865452 0.75 KMT2A (0.49) ALDH1A1MCOLN3SMN1; SMN2TSHRPOLB
SCHEMBL15040616 0.70 L3MBTL1 (1.00) L3MBTL1SMN1; SMN2TP53CASP1MAPK1
SCHEMBL16348222 0.70 L3MBTL1 (0.78) ALDH1A1MCOLN3L3MBTL1SMN1; SMN2TP53
SCHEMBL6857880 0.69 L3MBTL1 (0.48) ALDH1A1MCOLN3L3MBTL1TSHRPOLB
SCHEMBL25340698 0.69 L3MBTL1 (0.72) ALDH1A1MCOLN3L3MBTL1SMN1; SMN2TP53
SCHEMBL15018230 0.69 L3MBTL1 (0.59) ALDH1A1MCOLN3L3MBTL1SMN1; SMN2TP53
SCHEMBL3526723 0.68 ALDH1A1 (0.53) ALDH1A1MCOLN3L3MBTL1SMN1; SMN2GAA
SCHEMBL16342268 0.68 L3MBTL1 (0.58) ALDH1A1MCOLN3L3MBTL1SMN1; SMN2TP53
SCHEMBL4608783 0.66 PDE4A (0.88) ALDH1A1L3MBTL1SMN1; SMN2TP53MAPK1

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