SCHEMBL16213835

SCHEMBL16213835

C[S+]([O-])c1nc2ccccc2n1CCCS(=O)(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
POLB P06746 1/20 0.46
CXCR4 P61073 1/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
TLR8 Q9NR97 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL30399076 0.80 LMNA (0.58) TSHRALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL13344490 0.77 TSHR (0.58) TSHRALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL16213836 0.77 TSHR (0.65) TSHRALDH1A1HTTPOLBCXCR4
SCHEMBL13478215 0.76 HTT (0.58) TSHRALDH1A1HTTPOLBCXCR4
SCHEMBL20062852 0.75 TSHR (0.51) TSHRALDH1A1HTTPOLBCXCR4
SCHEMBL13301446 0.74 ALDH1A1 (0.59) TSHRALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL14508865 0.73 TSHR (0.50) TSHRALDH1A1HTTPOLBCXCR4
Trifluoromethanesulfonic Acid SCHEMBL28502609 0.73 LMNA (0.51) TSHRALDH1A1HTTPOLBSMN1; SMN2
SCHEMBL19618645 0.72 TSHR (0.48) TSHRALDH1A1HTTPOLBCXCR4
SCHEMBL10187682 0.71 SMN1; SMN2 (0.53) TSHRALDH1A1HTTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822268-B2 Ink composition SEIKO EPSON CORPORATION (JP) 2017-11-21 US disclosed
US-9528014-B2 Coloring composition, ink for inkjet recording using the coloring composition, method for inkjet recording using the ink for inkjet recording, ink cartridge, and inkjet recording material FUJIFILM CORPORATION (JP) 2016-12-27 US disclosed
US-20160032125-A1 INK SET SEIKO EPSON CORPORATION (JP) 2016-02-04 US disclosed
US-20150247048-A1 COLORING COMPOSITION, INK FOR INKJET RECORDING USING THE COLORING COMPOSITION, METHOD FOR INKJET RECORDING USING THE INK FOR INKJET RECORDING, INK CARTRIDGE, AND INKJET RECORDING MATERIAL FUJIFILM CORPORATION (JP) 2015-09-03 US disclosed
US-8876915-B2 Coloring composition and ink for inkjet recording FUJIFILM CORPORATION (JP) 2014-11-04 US disclosed