SCHEMBL6844910

SCHEMBL6844910

NCCCc1c(C2C=COC2)ccc(CS(=O)(=O)c2ccccc2)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL6844855 0.82 TSHR (0.32) HTR6TSHRHSD17B10ALDH1A1
SCHEMBL6844858 0.79 TSHR (0.34) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6844881 0.75 CA1 (0.38) HSD17B10ALDH1A1
SCHEMBL6844851 0.73 ALDH1A1 (0.32) HTR6ALDH1A1
SCHEMBL14725681 0.73 NAT1 (0.35) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6844879 0.72 POLB (0.36) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL1648037 0.72 NAT1 (0.34) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6844867 0.71 TSHR (0.32) TSHR
SCHEMBL6844920 0.70 ELANE (0.34) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6844919 0.70 POLB (0.34) ALDH1A1KMT2A

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-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO disclosed