SCHEMBL8400154

SCHEMBL8400154

F[B-](F)(F)F.N#[N+]c1ccccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.37
LMNA P02545 4/20 0.37
CCR1 P32246 2/20 0.37
CCR5 P51681 2/20 0.37
CCR8 P51685 2/20 0.37
P4HTM Q9NXG6 2/20 0.37
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
METAP1 P53582 1/20 0.37
BLM P54132 1/20 0.37
HIF1A Q16665 1/20 0.37
DOHH Q9BU89 1/20 0.37
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
TDP1 Q9NUW8 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ATM Q13315 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
NOS3 P29474 1/20 0.34

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
Hydrochloric Acid SCHEMBL8046759 0.91
SCHEMBL6750082 0.91
Fluoride Ion SCHEMBL11599607 0.89
Acetic Acid SCHEMBL31257861 0.76 ALDH1A1 (0.46) KDM4ELMNAP4HTMCYP1A2NPC1
SCHEMBL1008043 0.72
Dipyridyl SCHEMBL3713644 0.69 KDM4E (0.78) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28371618 0.68 KDM4E (0.61) KDM4ELMNACCR1CCR5CCR8
SCHEMBL827664 0.67
Dipyridyl SCHEMBL17351682 0.67 KDM4E (0.74) KDM4ELMNACCR1CCR5CCR8
Dipyridyl SCHEMBL16758697 0.67 KDM4E (0.74) KDM4ELMNACCR1CCR5CCR8

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163313-B Method for selectively synthesizing EZ-stilbene by coupling ruthenium-catalyzed aryl diazonium salt with cinnamic acid 中山大学 2023-11-03 CN disclosed
CN-109293491-A A kind of method that aryl diazonium salts take off acyl group in diazonium 中南大学 2019-02-01 CN disclosed
EP-0799207-B1 PROCESS FOR THE PREPARATION OF FLUORINATED HETEROCYCLIC COMPOUNDS F2 CHEMICALS LIMITED (GB) 1999-06-09 EP disclosed
US-5859255-A Process for the preparation of fluorinated heterocyclic compounds F2 CHEMICALS LTD. (GB) 1999-01-12 US disclosed
WO-1996019456-A1 PROCESS FOR THE PREPARATION OF FLUORINATED HETEROCYCLIC COMPOUNDS BNFL FLUOROCHEMICALS LTD. (GB) 1996-06-27 WO disclosed