SCHEMBL17666147

SCHEMBL17666147

C/C=C(\NC(=O)OC(C)(C)C)n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.35
ELANE P08246 3/20 0.35
RAB9A P51151 2/20 0.35
CYP17A1 P05093 2/20 0.35
PCSK9 Q8NBP7 1/20 0.34
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
NOS1 P29475 1/20 0.33
ATR Q13535 1/20 0.32
MAPT P10636 1/20 0.32
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL28208378 0.84 ELANE (0.36) FBP1ELANERAB9ACYP17A1PCSK9
SCHEMBL28434035 0.83 RAB9A (0.33) ELANERAB9APCSK9NPC1KMT2A
SCHEMBL126581 0.82 ELANE (0.35) FBP1ELANERAB9ACYP17A1PCSK9
SCHEMBL805980 0.82 NOS1 (0.40) FBP1ELANERAB9ACYP17A1PCSK9
SCHEMBL19291519 0.79 ELANE (0.33) FBP1ELANERAB9ACYP17A1PCSK9
SCHEMBL19532466 0.79 ELANE (0.33) FBP1ELANERAB9ACYP17A1PCSK9
SCHEMBL14135 0.77 RAB9A (0.32) ELANERAB9APCSK9NOS1L3MBTL1
SCHEMBL13221 0.77 RAB9A (0.32) ELANERAB9APCSK9NOS1L3MBTL1
SCHEMBL13518677 0.77 RAB9A (0.32) ELANERAB9APCSK9PLAUNOS1
SCHEMBL13518680 0.77 RAB9A (0.32) ELANERAB9APCSK9PLAUNOS1

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
WO-2016054261-A1 SPHINGOSINE KINASE INHIBITORS LYNCH KEVIN (US) 2016-04-07 WO disclosed