SCHEMBL31413003

SCHEMBL31413003

CCCN1CCCCC1.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(NS(=O)(=O)C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.39
DRD1 P21728 4/20 0.39
DRD4 P21917 4/20 0.39
DRD5 P21918 4/20 0.39
DRD3 P35462 4/20 0.39
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
EPHX1 P07099 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
PRMT8 Q9NR22 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL5017566 1.00 DRD2 (0.39) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29612106 0.98 DRD2 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29692586 0.90 EPHX1 (0.41) CYP2D6MAPK1EPHX1ALDH1A1KDM4E
SCHEMBL30557884 0.90 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL30557870 0.89 EPHX1 (0.44) MAPK1EPHX1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29364744 0.88 EPHX1 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29364116 0.88 EPHX1 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL29045121 0.87 DRD2 (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL627535 0.87 EPHX1 (0.45) EPHX1ALDH1A1KDM4ESMN1; SMN2HRH3
SCHEMBL30745051 0.86 KMT2A (0.34) CYP2D6MAPK1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119504071-A Pretreatment method for wastewater produced by hydrogen peroxide 中盐常州化工股份有限公司 2025-02-25 CN disclosed