SCHEMBL17079335

SCHEMBL17079335

O=C(NCCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2)on1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.65
HIF1A Q16665 3/20 0.61
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
KMT2A Q03164 4/20 0.54
LMNA P02545 4/20 0.54
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
NPC1 O15118 4/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.51

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
SCHEMBL17087744 0.88 FAAH (0.65) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL19457796 0.87 FAAH (0.64) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL17079298 0.87 FAAH (0.60) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL17079294 0.86 FAAH (0.59) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL17079290 0.86 FAAH (0.59) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL18355988 0.86 FAAH (0.59) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL17087743 0.86 FAAH (0.59) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL17087748 0.86 FAAH (0.59) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL17087740 0.86 FAAH (0.59) FAAHHIF1AMAPTPOLBHDAC3
SCHEMBL17079323 0.84 FAAH (0.60) FAAHHIF1AMAPTPOLBHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116501-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-01-18 EP claimed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 WO claimed
EP-3116501-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY Proteostasis Therapeutics, Inc. (US) 2017-01-18 EP disclosed
WO-2015138909-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2015-09-17 WO disclosed