SCHEMBL8700353

SCHEMBL8700353

COC(=O)c1cc(S(C)(=O)=O)c(N2CCC(N)CC2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8701409 0.86 MAPT (0.40) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL7835065 0.84 SLC9A1 (0.48)
Hydrochloric Acid SCHEMBL7836893 0.84 SLC9A1 (0.47)
SCHEMBL9177701 0.83 SUV39H2 (0.42) GPR119
SCHEMBL9177710 0.77 STS (0.38) EEDKDM4EALDH1A1HPGDGPR119
SCHEMBL8701738 0.75 SLC9A1 (0.49) EEDKDM4EGAAMEN1KMT2A
SCHEMBL8584065 0.74 GAA (0.41) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL8700566 0.73 KDM4E (0.55) KDM4ENPC1ALDH1A1MAPTHPGD
SCHEMBL8705825 0.73 KDM4E (0.48) KDM4ENPC1ALDH1A1RAB9A
SCHEMBL8704148 0.72 EED (0.40) EEDKDM4EGAAMEN1KMT2A

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
US-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed