SCHEMBL30209481

SCHEMBL30209481

Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2F)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.63
HSD11B1 P28845 4/20 0.59
POLB P06746 1/20 0.57
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 4/20 0.53
MAPT P10636 1/20 0.51
KAT6A Q92794 2/20 0.50
LMNA P02545 1/20 0.50
PKM P14618 2/20 0.49
KMT2A Q03164 2/20 0.49
PTPN1 P18031 1/20 0.47
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
PAX8 Q06710 1/20 0.47

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
SCHEMBL30209489 0.81 KMT2A (0.62) RECQLHSD11B1POLBCA12CA9
SCHEMBL2422002 0.78 RECQL (1.00) RECQLHSD11B1ALDH1A1MAPTLMNA
SCHEMBL29609963 0.76 RECQL (0.97) RECQLHSD11B1ALDH1A1MAPTLMNA
SCHEMBL29012562 0.75 HSD11B1 (0.83) RECQLHSD11B1CA12CA9ALDH1A1
SCHEMBL29012568 0.75 KMT2A (0.73) RECQLHSD11B1CA9ALDH1A1MAPT
SCHEMBL6202982 0.74 HSD11B1 (1.00) RECQLHSD11B1ALDH1A1MAPTLMNA
SCHEMBL10872654 0.74 RECQL (0.91) RECQLHSD11B1ALDH1A1MAPTLMNA
SCHEMBL30209484 0.74 RECQL (0.68) RECQLHSD11B1ALDH1A1MAPTLMNA
SCHEMBL15979729 0.73 PKM (0.62) POLBPKMKMT2APTPN1ERCC5
SCHEMBL30209482 0.73 HSD11B1 (0.82) RECQLHSD11B1ALDH1A1MAPTLMNA

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