SCHEMBL8564336

SCHEMBL8564336

O=S(=O)(c1cccc2ccccc12)N1CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
TSHR P16473 2/20 0.69
MAPT P10636 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
CNR1 P21554 1/20 0.63
TP53 P04637 1/20 0.63
HSD11B1 P28845 1/20 0.58
TGM2 P21980 1/20 0.56
GPR183 P32249 1/20 0.56
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
EPHX2 P34913 1/20 0.56
CYP3A4 P08684 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C9 P11712 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
HDAC3 O15379 1/20 0.54

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
SCHEMBL7216688 0.93 KMT2A (0.97) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL6568319 0.92 MEN1 (0.71) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL1063351 0.91 KMT2A (1.00) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL2952847 0.89 MAPT (0.71) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL20021983 0.88 KMT2A (0.71) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL2960623 0.88 MEN1 (0.71) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL8898704 0.87 CNR1 (0.67) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL2962437 0.86 KMT2A (0.64) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL2953438 0.86 CNR1 (0.65) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL14919477 0.85 MEN1 (0.68) MEN1KMT2ATSHRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644182-B1 Cyclohexane derivatives useful as potassium channel openers EISAI CO LTD (JP) 1998-05-13 EP disclosed
US-5605907-A USEFUL AS A PREVENTIVE AND THERAPEUTIC AGENT FOR DISEASES AGAINST WHICH A POTASSIUM CHANNEL OPENING ACTION IS EFFICACIOUS EISAI CO., LTD. (JP) 1997-02-25 US disclosed
US-5478839-A Potassium channel modulator, bronchodilator agent, muscle relaxants, vasodilator EISAI CO., LTD. (JP) 1995-12-26 US disclosed
EP-0644182-A1 Cyclohexane derivatives useful as potassium channel openers Eisai Co., Ltd. (JP) 1995-03-22 EP disclosed