SCHEMBL2586748

SCHEMBL2586748

CN(CCCNC(=O)c1noc2c1CN(S(=O)(=O)c1ccc(OC(F)(F)F)cc1)CC2)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.41
TSHR P16473 2/20 0.41
EGLN1 Q9GZT9 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 1/20 0.38
HTT P42858 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LIPE Q05469 1/20 0.37
CACNA1B Q00975 1/20 0.37
TP53 P04637 1/20 0.37
GFER P55789 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4260241 0.79 SMN1; SMN2 (0.46) EGLN1SMN1; SMN2MEN1KMT2ALIPE
SCHEMBL2587146 0.79 SMN1; SMN2 (0.43) EGLN1SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL2588885 0.79 PKM (0.55) GAATSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL2579176 0.78 SMN1; SMN2 (0.41) GAAEGLN1SMN1; SMN2MAPTALDH1A1
SCHEMBL2579157 0.77 SMN1; SMN2 (0.42) GAATSHREGLN1SMN1; SMN2MAPT
SCHEMBL2578768 0.77 TRPV1 (0.42) GAATSHREGLN1SMN1; SMN2MAPT
SCHEMBL2583662 0.76 BCHE (0.47) EPHX2
SCHEMBL2587147 0.76 CRHBP (0.42) TSHRSMN1; SMN2MEN1KMT2ALIPE
SCHEMBL2582179 0.76 RAB9A (0.47) GAATSHRSMN1; SMN2MAPTALDH1A1
SCHEMBL2584691 0.76 ALDH1A1 (0.50) GAASMN1; SMN2ALDH1A1LMNAHSD17B10

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