SCHEMBL31238035

SCHEMBL31238035

O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CS(=O)(=O)C/C1=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP18 Q9UMW8 2/20 1.00
UCHL5 Q9Y5K5 2/20 1.00
HSP90AA1 P07900 1/20 1.00
USP2 O75604 1/20 1.00
CASP3 P42574 2/20 0.53
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
APP P05067 3/20 0.47
MAOB P27338 1/20 0.47
METAP1 P53582 1/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42

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
SCHEMBL14797847 0.80 USP18 (0.67) USP18UCHL5HSP90AA1USP2CASP3
SCHEMBL14797848 0.80 USP18 (0.67) USP18UCHL5HSP90AA1USP2CASP3
SCHEMBL9619486 0.80 USP18 (0.67) USP18UCHL5HSP90AA1USP2CASP3
SCHEMBL9619484 0.80 USP18 (0.67) USP18UCHL5HSP90AA1USP2CASP3
SCHEMBL22822868 0.79 HSP90AA1 (0.66) USP18UCHL5HSP90AA1USP2CASP3
SCHEMBL11504417 0.76 CYP1A2 (0.62) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL11820237 0.76 HSP90AA1 (0.61) USP18UCHL5HSP90AA1USP2MAOB
SCHEMBL11820240 0.76 HSP90AA1 (0.61) USP18UCHL5HSP90AA1USP2MAOB
SCHEMBL11504418 0.76 CYP1A2 (0.62) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL11613815 0.75 CYP1A2 (0.64) USP18UCHL5HSP90AA1USP2MAPT

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
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 WO disclosed