SCHEMBL434902

SCHEMBL434902

CC1Oc2c(C(=O)O)cccc2-c2c(CS(=O)(=O)c3ccccc3)coc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MYC P01106 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.31
HNF4A P41235 1/20 0.31
MEN1 O00255 1/20 0.31
HSD11B1 P28845 1/20 0.30

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
SCHEMBL434903 0.77 TSHR (0.32) NPC1RAB9ATDP1TSHRHSD17B10
SCHEMBL434072 0.69 TSHR (0.32) TSHRHSD17B10KMT2AHSD11B1
SCHEMBL18294829 0.69 TSHR (0.32) TSHRHSD17B10KMT2AHSD11B1
SCHEMBL436087 0.65 MYC (0.37) NPC1RAB9ATDP1MYCMAPT
SCHEMBL435582 0.65 POLB (0.34) LMNAMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL27891257 0.64 SMN1; SMN2 (0.50) ALDH1A1L3MBTL1MAPTTSHRHSD17B10
SCHEMBL17480045 0.62 PSIP1 (0.47) LMNATSHRHSD17B10SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL1648768 0.61 NAT1 (0.39) NPC1RAB9ATDP1ALDH1A1L3MBTL1
SCHEMBL4912518 0.59 ALDH1A1 (0.53) TDP1ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL18393406 0.59 BRD4 (0.51) ALDH1A1MYCL3MBTL1LMNAMAPT

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