SCHEMBL28293873

SCHEMBL28293873

O=Cc1cc([S+]=O)c(O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.46
ERN1 O75460 10/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
MCL1 Q07820 1/20 0.40
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2A6 P11509 2/20 0.35
IMPDH2 P12268 1/20 0.35

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
SCHEMBL7190069 0.80 PADI4 (0.52) PADI4ERN1TRIM24TRIM33MCL1
SCHEMBL9353882 0.79 PADI4 (0.50) PADI4ERN1TRIM24TRIM33MCL1
SCHEMBL8974313 0.76 HTT (0.57) PADI4ERN1TRIM24TRIM33MCL1
SCHEMBL1001765 0.71 ERN1 (0.55) ERN1MCL1
SCHEMBL29708011 0.71 ERN1 (0.55) ERN1MCL1
SCHEMBL7756770 0.71 ERN1 (0.43) PADI4ERN1TRIM24TRIM33MCL1
SCHEMBL5663780 0.71 ERN1 (0.43) PADI4ERN1TRIM24TRIM33MCL1
SCHEMBL8416094 0.71 LMNA (0.50) PADI4ERN1TRIM24TRIM33MCL1
SCHEMBL28467801 0.70 HSD17B10 (0.59) MCL1THRBMEN1LMNAKMT2A
SCHEMBL5663542 0.70 PTPN1 (0.47)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109734642-B Synthesis and application of naphthalenone-sulfoxide ylide hybrid 河南师范大学 2020-10-09 CN claimed
CN-109734642-A Naphthalenone-sulfoxide ylide hybrid synthesis and application 河南师范大学 2019-05-10 CN claimed
CN-109734642-B Synthesis and application of naphthalenone-sulfoxide ylide hybrid 河南师范大学 2020-10-09 CN disclosed
CN-109734642-B Synthesis and application of naphthalenone-sulfoxide ylide hybrid 河南师范大学 2020-10-09 CN disclosed
CN-109734642-A Naphthalenone-sulfoxide ylide hybrid synthesis and application 河南师范大学 2019-05-10 CN disclosed
CN-109734642-A Naphthalenone-sulfoxide ylide hybrid synthesis and application 河南师范大学 2019-05-10 CN disclosed