SCHEMBL1838255

SCHEMBL1838255

N#[N+]Cc1ccc(N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
GFER P55789 1/20 0.50
TSHR P16473 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
MAOB P27338 6/20 0.42
MAOA P21397 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP19A1 P11511 2/20 0.37
TP53 P04637 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
RECQL P46063 1/20 0.35
FDPS P14324 1/20 0.34
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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 SCHEMBL5371703 0.97 CYP3A4 (0.48) ALDH1A1CYP3A4TDP1GFERTSHR
Hydrochloric Acid SCHEMBL29232066 0.77 LOXL2 (0.50) LOXL2MAPT
SCHEMBL5183493 0.74 TAAR1 (0.42) ALDH1A1MAOBALOX15MAPK1
SCHEMBL12374395 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1GFERTSHR
Bromide SCHEMBL9014959 0.70 CALM1 (0.43) ALDH1A1TDP1TSHRLOXL2MAOB
SCHEMBL7190155 0.69
Fluoride SCHEMBL10704561 0.69 MEN1 (0.89) ALDH1A1CYP3A4TDP1GFERTSHR
Fluoride SCHEMBL20497199 0.69 MEN1 (0.89) ALDH1A1CYP3A4TDP1GFERTSHR
Fluoride SCHEMBL27330616 0.69
SCHEMBL4090043 0.69

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
US-9725602-B2 Method for preparing an organic film at the surface of a solid support under non-electrochemical conditions, solid support thus obtained and preparation kit COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-08 US disclosed
US-8709542-B2 Method for preparing an organic film at the surface of solid support under non-electrochemical conditions, solid support thus obtained and preparation kit COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2014-04-29 US disclosed
EP-2121814-B1 METHOD FOR PREPARING AN ORGANIC FILM AT THE SURFACE OF A SOLID SUBSTRATE IN NON-ELECTROCHEMICAL CONDITIONS, SOLID SUBSTRATE THUS FORMED AND PREPARATION KIT COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 EP disclosed
US-20080193668-A1 METHOD FOR PREPARING AN ORGANIC FILM AT THE SURFACE OF A SOLID SUPPORT UNDER NON-ELECTROCHEMICAL CONDITIONS, SOLID SUPPORT THUS OBTAINED AND PREPARATION KIT COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-08-14 US disclosed
US-20080145706-A1 METHOD FOR PREPARING AN ORGANIC FILM AT THE SURFACE OF SOLID SUPPORT UNDER NON-ELECTROCHEMICAL CONDITIONS, SOLID SUPPORT THUS OBTAINED AND PREPARATION KIT COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-06-19 US disclosed