SCHEMBL7207925

SCHEMBL7207925

O=S(=O)(Oc1cccc2ccccc12)c1c(Cl)cc(O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
MEN1 O00255 4/20 0.45
GAA P10253 3/20 0.45
SCN9A Q15858 2/20 0.41
ESRRA P11474 1/20 0.41
ADRB1 P08588 3/20 0.39
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
DAO P14920 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
TRPM4 Q8TD43 1/20 0.37

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
SCHEMBL7197754 0.83 MEN1 (0.47) KMT2AMEN1SCN9AESRRAL3MBTL1
SCHEMBL10878438 0.78 MEN1 (0.49) KMT2AESR1ESR2MEN1GAA
SCHEMBL7538697 0.76 KMT2A (0.49) KMT2AESR1ESR2MEN1GAA
SCHEMBL10881406 0.74 KMT2A (0.59) KMT2AESR1ESR2MEN1GAA
SCHEMBL28869945 0.71 ALPL (0.50) KMT2AESR1ESR2MEN1GAA
SCHEMBL7188643 0.71 ESR1 (0.56) KMT2AESR1ESR2MEN1GAA
SCHEMBL8959237 0.70 CASP6 (0.50) KMT2AESR1ESR2MEN1GAA
SCHEMBL7187556 0.70 MRGPRX4 (0.47) KMT2AESR1ESR2MEN1GAA
SCHEMBL3933078 0.70 METAP2 (0.59) KMT2AESR1ESR2MEN1GAA
SCHEMBL6099899 0.70 HTR6 (0.54) KMT2AESR1ESR2MEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304924-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS Bayer Aktiengesellschaft (DE) 2003-05-02 EP disclosed
WO-2002005646-A2 COMPOSITIONS FOR REPELLING CRAWLING INSECTS S.C. JOHNSON & SON, INC. (US) (US) 2002-01-24 WO disclosed