SCHEMBL2588237

SCHEMBL2588237

O=C(NCCN1CCCC1)c1noc2c1CN(S(=O)(=O)c1cccc(Cl)c1)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
APEX1 P27695 1/20 0.43
GRM5 P41594 1/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
HSP90AA1 P07900 2/20 0.42
PIK3CA P42336 1/20 0.41
MTOR P42345 1/20 0.41
NPC1 O15118 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4264532 0.82 AKR1C3 (0.50) APEX1GRM5ALDH1A1KMT2AMEN1
SCHEMBL2587431 0.78 HSP90AA1 (0.46) APEX1GRM5ALDH1A1KMT2AHSP90AA1
SCHEMBL2582036 0.76 GAA (0.52) SMN1; SMN2ALDH1A1KMT2AHSP90AA1NPC1
SCHEMBL2578732 0.75 LMNA (0.44) SMN1; SMN2ALDH1A1GAA
SCHEMBL2578646 0.75 HSP90AA1 (0.50) SMN1; SMN2POLBALDH1A1KMT2AHSP90AA1
SCHEMBL2582055 0.75 TSHR (0.50) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL5539142 0.74 AKR1C3 (0.46) ALDH1A1KMT2AMEN1GAA
SCHEMBL2584833 0.74 NPC1 (0.44) SMN1; SMN2POLBALDH1A1KMT2AMEN1
SCHEMBL2585254 0.73 POLB (0.44) SMN1; SMN2POLBALDH1A1KMT2AHSP90AA1
SCHEMBL2582179 0.72 RAB9A (0.47) SMN1; SMN2POLBALDH1A1KMT2AMEN1

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