SCHEMBL30209484

SCHEMBL30209484

Cc1ccc(S(=O)(=O)CC(=O)c2cccc(F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.68
HSD11B1 P28845 3/20 0.60
ALDH1A1 P00352 5/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 5/20 0.57
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
LMNA P02545 2/20 0.55
PKM P14618 2/20 0.53
KDM4E B2RXH2 3/20 0.51
HPGD P15428 2/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MEN1 O00255 2/20 0.51
PAX8 Q06710 1/20 0.51
KCNH2 Q12809 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GLA P06280 1/20 0.48

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
SCHEMBL28427382 0.83 RECQL (0.68) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL29012568 0.82 KMT2A (0.73) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL2422002 0.82 RECQL (1.00) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL30209485 0.81 HSD11B1 (0.80) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL29609963 0.80 RECQL (0.97) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL29012562 0.80 HSD11B1 (0.83) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL12237263 0.80 KMT2A (0.77) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL28554569 0.78 HSD11B1 (0.69) RECQLHSD11B1ALDH1A1KMT2ANPC1
SCHEMBL10872654 0.78 RECQL (0.91) RECQLHSD11B1ALDH1A1MAPTKMT2A
SCHEMBL31208425 0.77 HSD11B1 (0.68) RECQLHSD11B1ALDH1A1MAPTKMT2A

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-111978216-B Preparation method of beta-carbonyl sulfone compound 西南医科大学 2023-02-03 CN disclosed