SCHEMBL28169552

SCHEMBL28169552

CCCCc1cc(C)ccn1.F[P-](F)(F)(F)(F)F.[H+]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 2/20 0.44
KDM4E B2RXH2 4/20 0.38
HPGD P15428 1/20 0.38
UHRF1 Q96T88 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 3/20 0.38
ADRA1D P25100 3/20 0.38
ADRA1A P35348 3/20 0.38
ADRA1B P35368 3/20 0.38
TLR8 Q9NR97 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
IDO1 P14902 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL28256588 0.94 KDM4E (0.43) NOS2KDM4EHPGDUHRF1CCR1
SCHEMBL28333194 0.94 KDM4E (0.43) NOS2KDM4EHPGDUHRF1CCR1
SCHEMBL645891 0.91 NOS2 (0.50) NOS2KDM4EHPGDUHRF1CCR1
SCHEMBL29779666 0.91 NOS2 (0.50) NOS2KDM4EHPGDUHRF1CCR1
Hydrochloric Acid SCHEMBL28783127 0.90 NOS2 (0.49) NOS2KDM4EHPGDUHRF1CCR1
Iodide SCHEMBL29869193 0.90 NOS2 (0.49) NOS2KDM4EHPGDUHRF1CCR1
Phosphine SCHEMBL27841866 0.90 NOS2 (0.49) NOS2KDM4EHPGDUHRF1CCR1
SCHEMBL28096091 0.88 NOS2 (0.45) NOS2KDM4EHPGDUHRF1CCR1
SCHEMBL1030077 0.86 KDM4E (0.47) NOS2KDM4EHPGDUHRF1CCR1
SCHEMBL921653 0.86 KDM4E (0.47) NOS2KDM4EHPGDUHRF1CCR1

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
CN-107083198-A Surface protection film and optical component bonded with same 藤森工业株式会社 2017-08-22 CN disclosed