SCHEMBL2582055

SCHEMBL2582055

O=C(NCCN1CCOCC1)c1noc2c1CN(S(=O)(=O)c1cccs1)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 4/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 1/20 0.50
HSP90AA1 P07900 1/20 0.49
ERCC1 P07992 1/20 0.46
DNASE1 P24855 1/20 0.46
FEN1 P39748 1/20 0.46
ERCC4 Q92889 1/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
KDM5B Q9UGL1 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 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
SCHEMBL2578646 0.83 HSP90AA1 (0.50) TSHRSMN1; SMN2RAB9ALMNANPC1
SCHEMBL2585338 0.82 KMT2A (0.48) TSHRSMN1; SMN2RAB9ALMNANPC1
SCHEMBL2579153 0.80 KMT2A (0.45) TSHRSMN1; SMN2RAB9ALMNANPC1
SCHEMBL4264521 0.80 TSHR (0.50) TSHRSMN1; SMN2RAB9ALMNANPC1
SCHEMBL2585252 0.76 PKM (0.46) TSHRSMN1; SMN2RAB9ALMNANPC1
SCHEMBL2588237 0.75 SMN1; SMN2 (0.47) TSHRSMN1; SMN2RAB9ANPC1MAPK1
SCHEMBL5243723 0.71 TSHR (0.47) TSHRSMN1; SMN2RAB9ALMNANPC1
SCHEMBL2582303 0.70 ALDH1A1 (0.58) TSHRSMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL2582300 0.70 ALDH1A1 (0.58) TSHRSMN1; SMN2LMNAMAPK1KMT2A
SCHEMBL5527687 0.70 PKM (0.44) TSHRLMNAMAPK1KMT2AMEN1

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