SCHEMBL2579555

SCHEMBL2579555

O=C(c1[c]cccc1)N1CCS(=O)(=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
FAAH O00519 3/20 0.37
CNR2 P34972 4/20 0.37
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
MAPK14 Q16539 4/20 0.34
SIGMAR1 Q99720 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33

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
SCHEMBL1921739 0.86 L3MBTL1 (0.43) LMNAHPGDKDM4ESIGMAR1L3MBTL1
SCHEMBL1115239 0.83 HPGD (0.47) LMNAHPGD
SCHEMBL969710 0.83 HPGD (0.52) LMNAHPGD
SCHEMBL2186819 0.82 POLB (0.51) HPGDL3MBTL1POLB
SCHEMBL1642860 0.81 HPGD (0.55) LMNAHPGDL3MBTL1
SCHEMBL1566654 0.79 SIGMAR1 (0.57) HPGDSIGMAR1POLB
SCHEMBL4538878 0.79 KMT2A (0.41) HPGDKDM4ESIGMAR1L3MBTL1POLB
SCHEMBL6347565 0.79 HPGD (0.46) FAAHHPGDKDM4E
SCHEMBL971067 0.79 HPGD (0.51) HPGDPOLB
SCHEMBL4352484 0.76 ACHE (0.59) LMNAHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP claimed