SCHEMBL9813110

SCHEMBL9813110

Cc1ccc(O)cc1S(=O)(=O)N(CCCN(CCOS(=O)(=O)c1cccc(C)c1O)S(=O)(=O)c1cc(O)ccc1C)CCOS(=O)(=O)c1cccc(C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ESR1 P03372 3/20 0.37
ESR2 Q92731 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 8/20 0.33
LMNA P02545 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
P4HB P07237 1/20 0.32
AKT1 P31749 1/20 0.32
GAA P10253 2/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTPN1 P18031 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
DNMT1 P26358 1/20 0.31

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
SCHEMBL9813093 0.90 ALDH1A1 (0.36) MEN1KMT2AESR1ESR2ATM
SCHEMBL11334473 0.74 ESR2 (0.45) MEN1KMT2AESR1ESR2ALDH1A1
SCHEMBL11385199 0.73 ALDH1A1 (0.43) MEN1KMT2AESR1ESR2ATM
SCHEMBL2347168 0.73 ALDH1A1 (0.43) MEN1KMT2AESR1ESR2ATM
SCHEMBL8795201 0.73 GAA (0.45) MEN1KMT2AESR1ESR2ATM
SCHEMBL9592812 0.73 CNR2 (0.43) MEN1KMT2AALDH1A1HTTPOLB
SCHEMBL3907809 0.72 ALDH1A1 (0.45) MEN1KMT2AESR1ESR2ALDH1A1
SCHEMBL6062172 0.71 TSHR (0.49) MEN1KMT2AESR1ESR2ALDH1A1
SCHEMBL8459792 0.70 ALDH1A1 (0.44) MEN1KMT2AESR1ESR2ATM
SCHEMBL9511076 0.70 SMN1; SMN2 (0.42) MEN1KMT2AESR1ALDH1A1L3MBTL1

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
EP-0304780-B1 PROCESS FOR LABELLING SUBSTANCES WITH TECHNETIUM OR RHENIUM HOECHST AKTIENGESELLSCHAFT (DE) 1991-08-07 EP disclosed