SCHEMBL20141848

SCHEMBL20141848

CS(=O)(=O)c1ncccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.40
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
HSD11B1 P28845 1/20 0.39
RBP4 P02753 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ADRB2 P07550 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL20141102 0.83 POLB (0.54) LMNAMAPTALDH1A1
SCHEMBL21384410 0.77 KDM4E (0.47) HSD11B1SMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL2335427 0.77 GAA (0.47) HSD11B1RBP4SMN1; SMN2LMNAL3MBTL1
SCHEMBL20140399 0.76 KMT2A (0.53) NPC1HSD11B1RBP4SMN1; SMN2LMNA
SCHEMBL20140801 0.75 NPC1 (0.41) NPC1HSD11B1RBP4SMN1; SMN2LMNA
SCHEMBL2217096 0.74 HTR2A (0.60) TSHRL3MBTL1GAAKDM4EHSD17B10
SCHEMBL2716180 0.72 NPC1 (0.47) NPC1SMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL20339483 0.71 TRPV1 (0.61) HSD11B1GAAKMT2AALDH1A1
SCHEMBL4524859 0.70 NPY5R (0.52) SMN1; SMN2TSHRKDM4EHSD17B10MEN1
SCHEMBL122835 0.70 KMT2A (0.47) HSD11B1RBP4GAAKDM4EMAPT

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed