SCHEMBL434903

SCHEMBL434903

CC1Oc2c(C(=O)O)ccc(CS(=O)(=O)c3ccccc3)c2-c2ccoc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KEAP1 Q14145 4/20 0.31
NFE2L2 Q16236 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD11B1 P28845 2/20 0.31

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
SCHEMBL434072 0.82 TSHR (0.32) TSHRHSD17B10KEAP1NFE2L2KMT2A
SCHEMBL18294829 0.82 TSHR (0.32) TSHRHSD17B10KEAP1NFE2L2KMT2A
SCHEMBL434902 0.77 NPC1 (0.33) TSHRHSD17B10NPC1RAB9ATDP1
SCHEMBL435582 0.77 POLB (0.34) KEAP1NFE2L2KMT2A
SCHEMBL1647704 0.68 MAPT (0.38) TSHRHSD17B10NPC1RAB9ATDP1
SCHEMBL14937595 0.68 MAPT (0.36) TSHRHSD17B10NPC1RAB9ATDP1
SCHEMBL436086 0.66 TARBP2 (0.35) TSHRHSD17B10TDP1KMT2A
SCHEMBL436087 0.65 MYC (0.37) TSHRNPC1RAB9ATDP1HSD11B1
SCHEMBL436545 0.65 MAPT (0.41) NPC1RAB9ATDP1KEAP1NFE2L2
SCHEMBL1649411 0.65 KMT2A (0.43) TSHRHSD17B10NPC1RAB9AKEAP1

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
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP claimed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 WO claimed