SCHEMBL28398682

SCHEMBL28398682

Cc1cc(C)cc(S(=O)(=O)N2CCC(NC(=O)c3ccccc3OCc3ccccc3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.62
KMT2A Q03164 7/20 0.62
ALDH1A1 P00352 5/20 0.61
SGMS2 Q8NHU3 1/20 0.60
MAPT P10636 1/20 0.52
TSHR P16473 2/20 0.51
KDM5A P29375 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.48
EPHX2 P34913 1/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46

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
SCHEMBL28402827 0.91 MEN1 (0.64) MEN1KMT2AALDH1A1SGMS2MAPT
SCHEMBL28890111 0.90 MEN1 (0.69) MEN1KMT2AALDH1A1SGMS2MAPT
SCHEMBL28397282 0.90 MEN1 (0.61) MEN1KMT2AALDH1A1SGMS2TSHR
SCHEMBL28397279 0.87 POLB (0.66) MEN1KMT2AALDH1A1SGMS2MAPT
SCHEMBL28406339 0.86 KMT2A (0.67) MEN1KMT2AALDH1A1SGMS2MAPT
SCHEMBL28402751 0.85 KMT2A (0.62) MEN1KMT2AALDH1A1SGMS2MAPT
SCHEMBL28402448 0.85 MEN1 (0.70) MEN1KMT2AALDH1A1SGMS2TSHR
SCHEMBL28397348 0.85 MEN1 (0.70) MEN1KMT2AALDH1A1SGMS2TSHR
SCHEMBL28410880 0.78 KMT2A (0.65) MEN1KMT2AALDH1A1SGMS2TSHR
SCHEMBL28236200 0.78 KMT2A (0.64) MEN1KMT2AALDH1A1TSHRL3MBTL1

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-108440389-B 3,4, 5-trihydroxybenzoic acid derivative and preparation method and application thereof 山东大学 2020-05-29 CN disclosed