SCHEMBL8809608

SCHEMBL8809608

COc1cc(OC)c(C(=O)CCCCCl)cc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTR2C P28335 12/20 0.50
HTR2B P41595 12/20 0.50
HTR2A P28223 8/20 0.50
AGTR1 P30556 1/20 0.48
KAT6A Q92794 2/20 0.47
GHSR Q92847 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL8570611 0.97 MEN1 (0.56) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8574314 0.89 HTR2C (0.60) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8570870 0.88 HTR2C (0.61) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8567723 0.86 HTR2C (0.62) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8573905 0.86 HTR2C (0.62) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8574015 0.85 HTR2C (0.51) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8574255 0.85 HTR2C (0.62) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8572389 0.85 HTR2C (0.64) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8572332 0.85 HTR2C (0.53) MEN1KMT2AHTR2CHTR2BHTR2A
SCHEMBL8569901 0.83 HTR2C (0.62) MEN1KMT2AHTR2CHTR2BHTR2A

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-1997000872-A1 1,3,8-TRIAZA- AND 3,8-DIAZA-1-OXASPIRO(4,5)DECANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-01-09 WO disclosed