SCHEMBL16366458

SCHEMBL16366458

O=C(O)c1cc(NS(=O)(=O)c2ccccc2)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.75
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
PTPN5 P54829 1/20 0.71
GAA P10253 2/20 0.68
GFER P55789 1/20 0.68
APOBEC3G Q9HC16 1/20 0.68
CTNNB1 P35222 1/20 0.67
HTT P42858 1/20 0.65
TSHR P16473 1/20 0.63
MCL1 Q07820 1/20 0.61
KDM4E B2RXH2 2/20 0.61
POLB P06746 2/20 0.61
USP2 O75604 2/20 0.55
MAPT P10636 1/20 0.55
HPGD P15428 1/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CASP6 P55212 1/20 0.55
PKM P14618 1/20 0.55

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
SCHEMBL18175045 0.89 ALDH1A1 (0.73) ALDH1A1MEN1KMT2APTPN5GAA
SCHEMBL7828166 0.88 MCL1 (0.78) ALDH1A1MEN1KMT2APTPN5GAA
SCHEMBL11222668 0.84 ALDH1A1 (0.75) ALDH1A1MEN1KMT2APTPN5GAA
SCHEMBL29390524 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APTPN5HTT
SCHEMBL15121254 0.83 PTPN5 (1.00) ALDH1A1MEN1KMT2APTPN5TSHR
SCHEMBL610080 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APTPN5HTT
SCHEMBL16471401 0.83 ALDH1A1 (0.65) ALDH1A1MEN1KMT2APTPN5GAA
SCHEMBL3500413 0.83 ALDH1A1 (0.69) ALDH1A1MEN1KMT2APTPN5GAA
SCHEMBL5022924 0.83 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APTPN5GAA
SCHEMBL3717185 0.83 FABP4 (0.63) ALDH1A1MEN1KMT2AMCL1POLB

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
WO-2014204859-A2 BCL6 INHIBITORS AS ANTICANCER AGENTS MELNICK ARI (US) 2014-12-24 WO disclosed