SCHEMBL302576

SCHEMBL302576

COc1ccc(OC)c(S(=O)(=O)NC2CCN(CCNC(=O)Nc3cc(C)nc(C)c3)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSC P53634 2/20 0.48
CTSB P07858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGAV P06756 1/20 0.42
LMNA P02545 1/20 0.42
ALPL P05186 1/20 0.41

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
SCHEMBL3555704 0.85 TP53 (0.42) KMT2ATP53SMN1; SMN2MEN1POLB
SCHEMBL3937977 0.85 TP53 (0.42) KMT2ATP53SMN1; SMN2MEN1POLB
SCHEMBL3556277 0.85 TSHR (0.45) KMT2ATP53SMN1; SMN2NPSR1MEN1
SCHEMBL301872 0.78 NAMPT (0.47) KMT2ATP53MEN1POLB
SCHEMBL3562435 0.76 L3MBTL1 (0.53) L3MBTL1SMN1; SMN2POLBHSD17B10LMNA
SCHEMBL3556125 0.76 POLB (0.45) KMT2AL3MBTL1TP53SMN1; SMN2MEN1
SCHEMBL301780 0.76 TP53 (0.46) KMT2ATP53SMN1; SMN2MEN1LMNA
SCHEMBL3556390 0.76 TSHR (0.44) TP53SMN1; SMN2NPSR1POLBLMNA
SCHEMBL301836 0.76 KDM4E (0.45) KMT2ATP53NPSR1MEN1POLB
SCHEMBL3556286 0.76 KDM4E (0.45) KMT2ATP53NPSR1MEN1POLB

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
JP-4851328-B2 2012-01-11 JP claimed
JP-2007506692-A 2007-03-22 JP claimed
EP-1670470-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2006-06-21 EP claimed
WO-2005030209-A1 PYRIDINE DERIVATIVES AND USE THEREOF AS UROTENSIN II ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2005-04-07 WO claimed