SCHEMBL2585124

SCHEMBL2585124

O=C(NCc1cccs1)c1noc2c1CN(C(=O)c1ccco1)CC2

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
KMT2A Q03164 3/20 0.60
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
HSP90AA1 P07900 4/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 4/20 0.44
GAA P10253 2/20 0.42
MAPT P10636 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
SCHEMBL2579399 0.79 SMN1; SMN2 (0.59) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL4274149 0.79 ALDH1A1 (0.48) LMNASMN1; SMN2KMT2ATSHRNPC1
SCHEMBL13545781 0.76 KMT2A (1.00) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2582126 0.74 SMN1; SMN2 (0.54) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL15321664 0.71 ALDH1A1 (0.62) LMNASMN1; SMN2TSHRRAB9AHPGD
SCHEMBL13545775 0.71 LMNA (0.69) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL15300410 0.70 ALDH1A1 (0.47) LMNASMN1; SMN2KMT2ATSHRNPC1
SCHEMBL4263116 0.68 LMNA (0.56) LMNASMN1; SMN2KMT2ATSHRNPC1
SCHEMBL2588184 0.67 MAPT (0.63) LMNASMN1; SMN2KMT2ATSHRNPC1
SCHEMBL4263699 0.66 MAPT (0.60) LMNASMN1; SMN2KMT2AMEN1TSHR

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
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