SCHEMBL28577968

SCHEMBL28577968

C=C(CCS(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
HSD11B1 P28845 2/20 0.53
ALDH1A1 P00352 3/20 0.52
TP53 P04637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 8/20 0.52
POLB P06746 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
PAX8 Q06710 1/20 0.51

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
SCHEMBL28579307 0.92 KMT2A (0.59) LMNAMAPTALDH1A1TP53KMT2A
SCHEMBL9721147 0.84 RECQL (0.69) RECQLLMNAMAPTHSD11B1ALDH1A1
SCHEMBL29275318 0.83 HSD11B1 (0.78) RECQLLMNAMAPTHSD11B1ALDH1A1
SCHEMBL7072972 0.78 KMT2A (0.56) RECQLLMNAMAPTALDH1A1TP53
SCHEMBL9644764 0.78 HSD11B1 (0.69) RECQLLMNAHSD11B1ALDH1A1TP53
SCHEMBL7862237 0.77 KMT2A (0.57) RECQLLMNAMAPTHSD11B1ALDH1A1
SCHEMBL7704838 0.76 ALDH1A1 (0.67) LMNAMAPTALDH1A1TP53KMT2A
SCHEMBL4727826 0.76 RECQL (0.66) RECQLLMNAMAPTHSD11B1ALDH1A1
SCHEMBL16221398 0.76 ALDH1A1 (0.64) LMNAALDH1A1CYP3A4
SCHEMBL7789096 0.76 ALDH1A1 (0.56) LMNAMAPTALDH1A1TP53KMT2A

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-108947876-B Synthesis method of allyl sulfone 广东工业大学 2021-06-01 CN disclosed