SCHEMBL2579153

SCHEMBL2579153

CC(CNC(=O)c1noc2c1CN(S(=O)(=O)c1cccs1)CC2)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
LMNA P02545 4/20 0.45
MEN1 O00255 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 2/20 0.41
EGLN1 Q9GZT9 1/20 0.41
PKM P14618 3/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 1/20 0.38
HPGD P15428 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
SCHEMBL2585338 0.82 KMT2A (0.48) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL4264521 0.81 TSHR (0.50) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL2585252 0.81 PKM (0.46) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL2582055 0.80 TSHR (0.50) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL325035 0.75 ALDH1A1 (0.40) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL5243723 0.75 TSHR (0.47) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL2582300 0.72 ALDH1A1 (0.58) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL2582303 0.72 ALDH1A1 (0.58) KMT2ALMNAMEN1SMN1; SMN2TSHR
SCHEMBL5527687 0.72 PKM (0.44) KMT2ALMNAMEN1TSHRALDH1A1
SCHEMBL2586012 0.69 MEN1 (0.47) KMT2ALMNAMEN1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US claimed
US-8048879-B2 Substituted 4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridine compounds and use thereof for producing medicaments GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed