SCHEMBL4709012

SCHEMBL4709012

O=S(=O)(O)/C=C/c1c2c(nn1Cc1ccccc1)CC[S+]([O-])C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PTGS1 P23219 1/20 0.32
MAPT P10636 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
PDE4B Q07343 1/20 0.30
PDE3A Q14432 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL13876771 0.86 LMNA (0.36) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL3888576 0.82 HTR7 (0.33) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL13866965 0.82 CNR2 (0.38) MEN1KMT2A
SCHEMBL13866971 0.82 CNR2 (0.38) MEN1KMT2A
SCHEMBL13866975 0.78 CNR2 (0.33) ALDH1A1
SCHEMBL13866978 0.78 CNR2 (0.33) ALDH1A1
SCHEMBL3897247 0.78 HTR2C (0.35) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL3897246 0.78 HTR2C (0.35) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL4711770 0.77 HTR2C (0.34) MEN1KMT2AALDH1A1LMNAHTR2C
SCHEMBL3890975 0.68 HPGD (0.41) MEN1KMT2AALDH1A1LMNAHPGD

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-1863479-B1 TETRAHYDROTHIOPYRANO PYRAZOLE CANNABINOID MODULATORS CROSS REFERENCE TO RELATED APPLICATIONS JANSSEN PHARMACEUTICA NV (BE) 2008-12-10 EP disclosed