SCHEMBL8500027

SCHEMBL8500027

Cc1ccccc1S(=O)(=O)Oc1ccc(-c2cccc3c2Cc2ccccc2-3)cc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
HTR6 P50406 1/20 0.38
ATM Q13315 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A9 P48067 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL8501629 0.87 MEN1 (0.40) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL8501394 0.85 ALDH1A1 (0.35) MEN1KMT2AHTR6ALDH1A1NPC1
SCHEMBL8498900 0.85 MEN1 (0.38) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL8501260 0.84 POLB (0.46) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL7461046 0.80 ALPL (0.41) MEN1KMT2AGAAHTR6ALDH1A1
SCHEMBL577450 0.72 SLC6A9 (0.45) MEN1KMT2AALDH1A1RAB9AKDM4E
SCHEMBL3842330 0.71 CYP2C9 (0.43) CYP1A2CYP2C9CYP2C19MEN1KMT2A
SCHEMBL29216759 0.71 SLC6A9 (0.44) MEN1KMT2AALDH1A1KDM4ESLC6A9
SCHEMBL8499639 0.71 ALPL (0.40) MEN1KMT2AGAAHTR6ALDH1A1
Sulfuric Acid SCHEMBL27766274 0.70 NPC1 (0.46) CYP1A2CYP2C19ALDH1A1NPC1RAB9A

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
EP-0956312-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR Corporation (JP) 1999-11-17 EP disclosed
WO-1998033836-A1 PROCESS FOR PRODUCING PHENYLENE-CONTAINING POLYMER AND FILM-FORMING MATERIAL JSR CORPORATION (JP) 1998-08-06 WO disclosed