SCHEMBL19681874

SCHEMBL19681874

CNc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.70
ALDH1A1 P00352 5/20 0.68
MAPT P10636 4/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
PKM P14618 2/20 0.61
CA2 P00918 5/20 0.57
CA1 P00915 3/20 0.57
CA12 O43570 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 3/20 0.52
HPGD P15428 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX12 P18054 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL8418962 0.91 CA12 (0.67) GAAALDH1A1MAPTMEN1KMT2A
Dimethylamine SCHEMBL11593980 0.86 GAA (0.84) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL7113886 0.84 GAA (0.73) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL23775709 0.84 GAA (0.73) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL4400955 0.83 GAA (1.00) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL10067072 0.83 GAA (1.00) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL170033 0.83 GAA (1.00) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL6976640 0.83 HTR6 (0.61) GAAALDH1A1MAPTMEN1KMT2A
Water SCHEMBL9619041 0.81 GAA (0.94) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL10541396 0.81 GAA (0.67) GAAALDH1A1MAPTMEN1KMT2A

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
EP-3901162-A1 GLUCOCORTICOID RECEPTOR AGONIST AND IMMUNOCONJUGATES THEREOF AbbVie Inc. (US) 2021-10-27 EP disclosed
WO-2021134992-A1 MODIFIED MALEIMIDE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 广东生益科技股份有限公司 2021-07-08 WO disclosed
WO-2021134993-A1 RESIN COMPOSITION AND PREPREG SHEET USING SAME, AND INSULATING PLATE 广东生益科技股份有限公司 2021-07-08 WO disclosed
WO-2017207776-A1 SYSTEM FOR DISPENSING A COSMETIC PRODUCT L'OREAL (FR) 2017-12-07 WO disclosed