SCHEMBL27692129

SCHEMBL27692129

C=CC(c1cccnc1)S(=O)(=O)c1cnc(NC(=O)Nc2ccc(C)cc2OCC(C)C)s1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
LPAR1 Q92633 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
IDH2 P48735 1/20 0.33
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL28766753 0.92 LMNA (0.37) KDM4ELPAR1NPC1GAALMNA
SCHEMBL28770680 0.85 IDH2 (0.33) LPAR1IDH2LIMK1LIMK2
SCHEMBL1340992 0.83 MAPT (0.41) NAMPTSMN1; SMN2LPAR1NPC1GAA
SCHEMBL1343195 0.80 FFAR2 (0.42) SMN1; SMN2LPAR1GAALMNAMAPK1
SCHEMBL1341799 0.79 MEN1 (0.42) SMN1; SMN2LPAR1LMNAIDH2LIMK1
SCHEMBL1342755 0.78 PKM (0.40) LPAR1
SCHEMBL1340565 0.77 NAMPT (0.39) NAMPTKDM4ESMN1; SMN2LPAR1NPC1
SCHEMBL1342461 0.76 CCNE1 (0.41) KDM4ELPAR1NPC1GAAATM
SCHEMBL1343925 0.76 LPAR1 (0.37) NAMPTKDM4ELPAR1NPC1GAA
SCHEMBL1343028 0.76 MEN1 (0.35) LPAR1GAAIDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101130526-B Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS 2013-07-10 CN disclosed
CN-101130526-A Aryl carbonyl derivatives as therapeutic agents NOVO NORDISK AS (DK) 2008-02-27 CN disclosed