SCHEMBL16808237

SCHEMBL16808237

CNCCN/C(=N/C(=O)OC(C)(C)C)c1ccc(OCCCBr)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 3/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 1/20 0.35
SENP7 Q9BQF6 1/20 0.35

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
SCHEMBL16808302 0.85 L3MBTL1 (0.42) CA12CA1CA2CA9HTT
SCHEMBL16808227 0.81 MIF (0.37) CA12CA1CA2CA9TSHR
SCHEMBL20361561 0.73 ELANE (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL16808322 0.71 CA12 (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL11032267 0.69 GAA (0.54) CA12CA1CA2CA9HTT
SCHEMBL16808252 0.69 CA12 (0.44) CA12CA1CA2CA9L3MBTL1
SCHEMBL752387 0.69 CA12 (0.54) CA12CA1CA2CA9MEN1
SCHEMBL16808320 0.68 CA12 (0.47) CA12CA1CA2CA9L3MBTL1
SCHEMBL1422634 0.67 FAAH (0.49) CA12CA1CA2CA9
SCHEMBL3367342 0.66 FAAH (0.49) CA12CA1CA2CA9

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-2015087857-A1 ARYL AMIDINE COMPOUND AND BACTERICIDAL AGENT 日本曹達株式会社 2015-06-18 WO disclosed