SCHEMBL21523391

SCHEMBL21523391

Cc1cc[n+](CCCCS(=O)(=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
PABPC1 P11940 1/20 0.53
EIF4H Q15056 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
RXFP1 Q9HBX9 1/20 0.44
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL21523382 0.94 PABPC1 (0.58) HTTPABPC1EIF4HCTDSP1ALDH1A1
SCHEMBL21523400 0.84 PABPC1 (0.51) HTTPABPC1EIF4HCTDSP1ALDH1A1
SCHEMBL21523397 0.83 PABPC1 (0.48) PABPC1EIF4HCTDSP1ALDH1A1KDM4E
SCHEMBL22655253 0.81 HTT (0.53) HTTALDH1A1KDM4EMAPTCYP3A4
SCHEMBL12533280 0.79 HTT (0.77) HTTKDM4EMAPTCYP2C9CYP2C19
Sulfuric Acid SCHEMBL3002566 0.79 HTT (0.66) HTTPABPC1EIF4HCTDSP1ALDH1A1
SCHEMBL29251722 0.79 HTT (0.76) HTTKDM4EMAPTCYP2C9CYP2C19
SCHEMBL29251953 0.79 HTT (0.76) HTTKDM4EMAPTCYP2C9CYP2C19
SCHEMBL29251610 0.79 HTT (0.76) HTTKDM4EMAPTCYP2C9CYP2C19
SCHEMBL29251897 0.79 HTT (0.76) HTTKDM4EMAPTCYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330753-A1 NICKEL (ALLOY) ELECTROPLATING SOLUTION JAPAN PURE CHEMICAL CO., LTD. (JP) 2019-10-31 US claimed
US-20190330753-A1 NICKEL (ALLOY) ELECTROPLATING SOLUTION JAPAN PURE CHEMICAL CO., LTD. (JP) 2019-10-31 US disclosed