SCHEMBL6409878

SCHEMBL6409878

O=C(O)OC1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 7/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 5/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 3/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
JAK2 O60674 1/20 0.41

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
SCHEMBL6411568 0.85 MAPT (0.50) KMT2AMEN1RAB9APKMPOLB
SCHEMBL2405235 0.84 KMT2A (0.55) KMT2AMEN1RAB9APKMPOLB
SCHEMBL6410174 0.84 ALDH1A1 (0.50) KMT2AMEN1RAB9APKMPOLB
SCHEMBL6417720 0.83 ALDH1A1 (0.58) KMT2AMEN1POLBALDH1A1MAPK1
SCHEMBL6411079 0.83 LMNA (0.44) KMT2APKMPOLBALDH1A1MAPK1
SCHEMBL6410840 0.80 ALDH1A1 (0.43) KMT2AMEN1RAB9APKMALDH1A1
SCHEMBL6411124 0.80 ALDH1A1 (0.56) KMT2AMEN1RAB9APKMPOLB
SCHEMBL6412249 0.80 JAK2 (0.43) KMT2AMEN1ALDH1A1MAPK1GAA
SCHEMBL6410871 0.79 ALDH1A1 (0.53) KMT2AMEN1RAB9APKMPOLB
SCHEMBL6409449 0.78 CYP2C19 (0.49) KMT2AMEN1PKMPOLBALDH1A1

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-1401841-B1 SUBSTITUTED 1-OXA-2,8-DIAZA-SPIRO 4,5]DEC-2-ENE DERIVATIVES AS MEDICAMENTS FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2005-08-24 EP disclosed