SCHEMBL14099491

SCHEMBL14099491

CS(=O)(=O)NCCS(=O)(=O)NCCOCCO

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 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
SCHEMBL8612225 0.89 TSHR (0.43) EPHX2TSHRMAPK1ALDH1A1MEN1
SCHEMBL8574248 0.80 TSHR (0.42) TSHRMAPK1ALDH1A1MEN1KMT2A
SCHEMBL11142418 0.79 ALDH1A1 (0.45) EPHX2TSHRALDH1A1MEN1KMT2A
SCHEMBL13411712 0.77 ALDH1A1 (0.44) EPHX2TSHRALDH1A1MEN1KMT2A
SCHEMBL13056648 0.77 EPHX2 (0.48) EPHX2TSHRMAPK1ALDH1A1MEN1
SCHEMBL16202244 0.75 MEN1 (0.47) EPHX2TSHRMAPK1ALDH1A1MEN1
SCHEMBL24670869 0.74 TSHR (0.36) TSHRMAPK1ALDH1A1MEN1KMT2A
Di(Hydroxyethyl)Ether SCHEMBL1790189 0.72 TSHR (0.59) EPHX2TSHRMAPK1ALDH1A1MEN1
Di(Hydroxyethyl)Ether SCHEMBL28929647 0.72 TSHR (0.59) EPHX2TSHRMAPK1ALDH1A1MEN1
SCHEMBL5020957 0.71 ALDH1A1 (0.41) EPHX2TSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399349-B2 Sheet for ink jet recording, ink for ink jet recording, manufacturing method of ink for ink jet recording, ink set for ink jet recording, and ink jet recording method FUJIFILM CORPORATION (JP) 2008-07-15 US disclosed
US-7393094-B2 Ink for inkjet, ink set for inkjet, and inkjet recording method FUJIFILM CORPORATION (JP) 2008-07-01 US disclosed
US-20070120920-A1 Ink for inkjet, ink set for inkjet, and inkjet recording method FUJIFILM CORPORATION (JP) 2007-05-31 US disclosed