SCHEMBL4959528

SCHEMBL4959528

NC(=O)OCC(c1cc(Cl)ccc1Cl)n1ncnn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 2/20 0.37
POLB P06746 2/20 0.33
PKM P14618 2/20 0.32
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGER1 P34995 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL4958189 0.91 CYP19A1 (0.38) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL25345950 0.86 POLB (0.41) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL4960190 0.86 POLB (0.41) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL4958071 0.83 CYP19A1 (0.51) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL4957281 0.82 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL4960122 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL4958691 0.80 POLB (0.39) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL4961045 0.79 CES2 (0.34) SLC6A2SLC6A4SLC6A3CYP19A1CYP1A2
SCHEMBL4958201 0.77 CYP1A2 (0.38) SLC6A2SLC6A4SLC6A3CYP1A2POLB
SCHEMBL4962072 0.75 CCR3 (0.40) SLC6A2SLC6A4SLC6A3

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-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed