SCHEMBL4082820

SCHEMBL4082820

Nc1ccc(C(CS(=O)(=O)CC(c2ccc(N)cc2)S(=O)(=O)O)S(=O)(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NT5E P21589 1/20 0.43
GRIA4 P48058 1/20 0.39
LMNA P02545 1/20 0.37
MPO P05164 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR6 P50406 1/20 0.37
SRC P12931 2/20 0.36
CYP2D6 P10635 1/20 0.36
GABBR2 O75899 1/20 0.36
GABBR1 Q9UBS5 1/20 0.36
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CA12 O43570 1/20 0.35
USP2 O75604 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

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
SCHEMBL27942647 0.79 POLB (0.41) TSHRALDH1A1NT5EGRIA4LMNA
SCHEMBL4082799 0.78 GABBR2 (0.42) TSHRALDH1A1NT5EGRIA4LMNA
Sulfuric Acid SCHEMBL27525453 0.78 TSHR (0.42) TSHRALDH1A1NT5EGRIA4LMNA
SCHEMBL8494043 0.78 CYP19A1 (0.41) TSHRALDH1A1NT5EGRIA4LMNA
Hydrogen Sulfide SCHEMBL28207580 0.76 CYP19A1 (0.40) TSHRALDH1A1NT5EGRIA4LMNA
Sulfuric Acid SCHEMBL7642904 0.74 TSHR (0.42) TSHRALDH1A1NT5EGRIA4LMNA
SCHEMBL11488342 0.73 GRIA4 (0.40) TSHRALDH1A1NT5EGRIA4LMNA
SCHEMBL11562753 0.73 ALDH1A1 (0.45) TSHRALDH1A1NT5EGRIA4LMNA
SCHEMBL9790436 0.73 TSHR (0.40) TSHRALDH1A1NT5EGRIA4LMNA
SCHEMBL22690489 0.72 ALDH1A1 (0.48) TSHRALDH1A1NT5EGRIA4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10302591-B2 Sharply resolving labeled protein molecular weight standards Life Technologies Corporation (US) 2019-05-28 US disclosed
US-20180031522-A1 SHARPLY RESOLVING LABELED PROTEIN MOLECULAR WEIGHT STANDARDS INVITROGEN CORPORATION 2018-02-01 US disclosed
US-9733212-B2 Sharply resolving labeled protein molecular weight standards Life Technologies Corporation (US) 2017-08-15 US disclosed
US-20130207044-A1 Sharply Resolving Labeled Protein Molecular Weight Standards Life Technologies Corporation (US) 2013-08-15 US disclosed
US-20090178926-A1 Sharply Resolving Labeled Protein Molecular Weight Standards INVITROGEN CORPORATION (US) 2009-07-16 US disclosed
EP-2069386-A2 SHARPLY RESOLVING LABELED PROTEIN MOLECULAR WEIGHT STANDARDS Life Technologies Corporation (US) 2009-06-17 EP disclosed
US-20090087873-A1 SHARPLY RESOLVING LABELED PROTEIN MOLECULAR WEIGHT STANDARDS INVITROGEN CORPORATION (US) 2009-04-02 US disclosed
WO-2008042495-A2 SHARPLY RESOLVING LABELED PROTEIN MOLECULAR WEIGHT STANDARDS Life Technologies Corporation (US) 2008-04-10 WO disclosed