SCHEMBL9947629

SCHEMBL9947629

Cc1cc(Cl)ccc1[N+]#N.F[B-](F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
NOX1 Q9Y5S8 1/20 0.33
CYP2A6 P11509 1/20 0.32
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
GAA P10253 1/20 0.31
NOTUM Q6P988 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
TSHR P16473 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
TP53 P04637 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30
ESR2 Q92731 1/20 0.30
LMNA P02545 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
SCHEMBL111298 0.92 CYP3A4 (0.41) CYP3A4NOX1CYP2A6GAANOTUM
Hydrochloric Acid SCHEMBL239363 0.90 CYP3A4 (0.40) CYP3A4NOX1CYP2A6GAANOTUM
Hydrochloric Acid SCHEMBL10636134 0.88 CYP3A4 (0.39) CYP3A4NOX1CYP2A6GAANOTUM
Hydrochloric Acid SCHEMBL10636139 0.88 CYP3A4 (0.39) CYP3A4NOX1CYP2A6GAANOTUM
SCHEMBL31351878 0.85 CYP3A4 (0.41) CYP3A4CYP2A6GAAPOLBSMN1; SMN2
SCHEMBL1086598 0.85 CYP3A4 (0.36) CYP3A4NOX1CYP2A6FLT1FLT4
Zinc Chloride SCHEMBL29359017 0.85 CYP3A4 (0.36) CYP3A4NOX1CYP2A6GAANOTUM
Acetic Acid SCHEMBL38654826 0.80 FLT1 (0.38) NOX1FLT1FLT4KDRNOTUM
SCHEMBL638667 0.80 TP53 (0.41) CYP3A4SMN1; SMN2TSHRTP53
SCHEMBL29929218 0.80 TP53 (0.41) CYP3A4SMN1; SMN2TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8206570-B2 Includes electrolysis of a solution containing an adhesion primer in contact with a surface followed by a reaction at the surface obtained, of a solution containing a protic solvent, and a radically polymerizable monomer COMMISSARIAT A L'ENERGIE ATOMIQUE, ETABLISSEMENT PUBLIC A CARACTERE INDUSTRIEL ET COMMERCIAL (FR) 2012-06-26 US claimed
EP-3891229-A1 PROCESS FOR PREPARING A SURFACE WITH BACTERIOSTATIC ACTIVITY AND SURFACE THUS PREPARED Commissariat à l'énergie atomique et aux énergies alternatives (FR) 2021-10-13 EP disclosed
WO-2020115434-A1 PROCESS FOR PREPARING A SURFACE WITH BACTERIOSTATIC ACTIVITY AND SURFACE THUS PREPARED COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2020-06-11 WO disclosed