SCHEMBL11222668

SCHEMBL11222668

O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
TSHR P16473 1/20 0.75
MEN1 O00255 10/20 0.74
KMT2A Q03164 10/20 0.74
KDM4E B2RXH2 3/20 0.74
POLB P06746 3/20 0.74
GAA P10253 2/20 0.64
PTPN5 P54829 1/20 0.59
CASP6 P55212 2/20 0.58
HSD17B10 Q99714 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
ALOX12 P18054 1/20 0.57
HPGD P15428 2/20 0.57
HTT P42858 1/20 0.54
MCL1 Q07820 1/20 0.54
PKM P14618 1/20 0.54
TP53 P04637 1/20 0.54

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
SCHEMBL3504223 0.89 ALDH1A1 (0.65) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL11584745 0.87 KMT2A (0.60) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL97271 0.87 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13313580 0.87 ALDH1A1 (0.62) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL29759524 0.85 SLC7A11 (0.71) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL11159193 0.85 ALDH1A1 (0.71) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL11159188 0.85 ALDH1A1 (0.71) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL9997703 0.85 ALDH1A1 (0.67) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL13856753 0.85 MEN1 (1.00) ALDH1A1TSHRMEN1KMT2AKDM4E
SCHEMBL16366458 0.84 ALDH1A1 (0.75) ALDH1A1TSHRMEN1KMT2AKDM4E

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
US-4350692-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-21 US disclosed