SCHEMBL17079357

SCHEMBL17079357

COC(C)c1nnc(CCNC(=O)c2cc(-c3ccccc3)on2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
FAAH O00519 4/20 0.56
HIF1A Q16665 2/20 0.53
HPGD P15428 4/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TP53 P04637 3/20 0.48

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
SCHEMBL17079399 1.00 POLB (0.56) POLBFAAHHIF1AHPGDMAPT
SCHEMBL17079352 1.00 POLB (0.56) POLBFAAHHIF1AHPGDMAPT
SCHEMBL17079298 0.90 FAAH (0.60) POLBFAAHHIF1AHPGDMAPT
SCHEMBL17079290 0.89 FAAH (0.59) POLBFAAHHIF1AHPGDMAPT
SCHEMBL17087740 0.89 FAAH (0.59) POLBFAAHHIF1AHPGDMAPT
SCHEMBL17079294 0.89 FAAH (0.59) POLBFAAHHIF1AHPGDMAPT
SCHEMBL17079396 0.88 FAAH (0.52) POLBFAAHHIF1AHPGDMAPT
SCHEMBL17079392 0.88 FAAH (0.52) POLBFAAHHIF1AHPGDMAPT
SCHEMBL19457798 0.85 FAAH (0.57) POLBFAAHHIF1AHPGDMAPT
SCHEMBL19457894 0.85 FAAH (0.57) POLBFAAHHIF1AHPGDMAPT

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
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