SCHEMBL21784832

SCHEMBL21784832

[N-]=[N+]=NCC(O)(Cn1ccnn1)c1ccc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP27B1 O15528 1/20 0.35
OGG1 O15527 1/20 0.35
CYP19A1 P11511 5/20 0.34
CCR1 P32246 5/20 0.32
CCR2 P41597 5/20 0.32
CCR4 P51679 4/20 0.32
CYP3A4 P08684 3/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CNR2 P34972 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
SCHEMBL20363965 0.84 CYP3A4 (0.35) CYP27B1OGG1CYP19A1CYP3A4TSHR
SCHEMBL21772447 0.81 OGG1 (0.38) CYP27B1OGG1CYP19A1CCR1CCR2
SCHEMBL20365770 0.80 CYP3A4 (0.46) OGG1CYP19A1CYP3A4CYP2C9CYP2C19
SCHEMBL11129469 0.77 OGG1 (0.38) CYP27B1OGG1CYP19A1CCR1CCR2
SCHEMBL1423792 0.77 CYP27B1 (0.38) CYP27B1OGG1CYP19A1CCR1CCR2
SCHEMBL9657759 0.77 CYP3A4 (0.40) OGG1CYP19A1CCR1CCR2CCR4
SCHEMBL10572265 0.74 CYP27B1 (0.36) CYP27B1OGG1CYP19A1CCR1CCR2
SCHEMBL6707593 0.73 CYP19A1 (0.36) CYP27B1OGG1CYP19A1CCR1CCR2
SCHEMBL10917973 0.72 OGG1 (0.45) CYP27B1OGG1CYP19A1CCR1CCR2
SCHEMBL10923524 0.72 CYP27B1 (0.37) CYP27B1OGG1CYP19A1CCR1CCR2

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
US-20200072711-A1 FLUORESCENT ENDOPLASMIC RETICULUM TRACKERS FOR LIVE CELL IMAGING OF PATHOGENIC YEAST RAMOT AT TEL AVIV UNIVERSITY LTD. (IL) 2020-03-05 US disclosed