SCHEMBL27784334

SCHEMBL27784334

CC(C)CNc1cccc(NS(N)(=O)=O)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
IDO1 P14902 1/20 0.36
PTGES2 Q9H7Z7 4/20 0.34
SLC22A12 Q96S37 1/20 0.33
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
BRAF P15056 2/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KDM6B O15054 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
LMNA P02545 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL27784355 0.84 CA1 (0.39) CA1CA2PTGES2SLC22A12KIF11
Sulfamide SCHEMBL2413720 0.83 IDO1 (0.36) CA1CA2IDO1PTGES2KDM4E
SCHEMBL27784300 0.81 CA1 (0.39) CA1CA2IDO1PTGES2SLC22A12
SCHEMBL2416373 0.81 PTGES2 (0.42) CA1CA2PTGES2SLC22A12
SCHEMBL27784411 0.79 CA1 (0.42) CA1CA2PTGES2SLC22A12KIF11
SCHEMBL2416593 0.78 L3MBTL1 (0.45) CA1CA2PTGES2SLC22A12KIF11
SCHEMBL2416712 0.78 IDO1 (0.37) IDO1MEN1TSHRKMT2AKDM4E
SCHEMBL2417251 0.77 IKBKB (0.37) CA1CA2SLC22A12BRAF
SCHEMBL27806392 0.76 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL1620690 0.76 CA1 (0.46) CA1CA2SLC22A12KIF11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110115365-A The adjusting that actinism receptor and relative ligand are carried out 西诺米克斯公司 2019-08-13 CN disclosed
CN-101779124-B Modulation of chemosensory receptors and ligands associated therewith 西诺米克斯公司 2017-12-12 CN disclosed
CN-107365319-A The regulation carried out to actinism acceptor and relative part 西诺米克斯公司 2017-11-21 CN disclosed
CN-101779124-A modulation of chemosensory receptors and ligands associated therewith SENOMYX INC 2010-07-14 CN disclosed