SCHEMBL28297736

SCHEMBL28297736

Fc1cc(F)cc(COCBr)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.54
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
TACR1 P25103 1/20 0.36
AGXT P21549 2/20 0.33
GSK3B P49841 2/20 0.33
BACE1 P56817 2/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MAOB P27338 2/20 0.31
ACHE P22303 1/20 0.31
DHFR P00374 1/20 0.31
DCPS Q96C86 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
SCHEMBL16025993 0.79 IDO1 (0.60) IDO1AGXTMAOB
SCHEMBL3149166 0.76 IDO1 (0.54) IDO1CA12CA1CA9TACR1
SCHEMBL15573480 0.76 IDO1 (0.54) IDO1CA12CA1CA9TACR1
SCHEMBL13349758 0.73 IDO1 (0.50) IDO1CA12CA1CA9TACR1
SCHEMBL5781149 0.73 IDO1 (0.50) IDO1CA12CA1CA9TACR1
SCHEMBL12681296 0.71 IDO1 (0.59) IDO1TACR1
SCHEMBL6744769 0.71 IDO1 (0.48) IDO1CA12CA1CA9TACR1
SCHEMBL5487052 0.71 IDO1 (0.46) IDO1CA12CA1CA9AGXT
SCHEMBL5733912 0.71 IDO1 (0.46) IDO1CA12CA1CA9AGXT
SCHEMBL120092 0.71 IDO1 (0.46) IDO1CA12CA1CA9AGXT

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
CN-107597018-B A kind of double-hydrophilic parents oil-based surfactant and preparation method thereof 陕西莱特光电材料股份有限公司 2019-06-11 CN claimed
CN-107597018-B A kind of double-hydrophilic parents oil-based surfactant and preparation method thereof 陕西莱特光电材料股份有限公司 2019-06-11 CN disclosed