SCHEMBL14115151

SCHEMBL14115151

C=[N+](C)c1ccccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 6/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 5/20 0.36
PIK3CA P42336 1/20 0.36
ADRA2B P18089 1/20 0.36
PTGS1 P23219 1/20 0.36
PDE7A Q13946 1/20 0.34
GAA P10253 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NPC1 O15118 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
SCHEMBL14115174 0.77 CYP3A4 (0.45) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL488921 0.69 CYP3A4 (0.47) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
Formaldehyde SCHEMBL1304273 0.68 CYP3A4 (0.41) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL11911292 0.65 ALOX15 (0.43) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
2-Nitroaniline SCHEMBL6000 0.65 PDE7A (0.62) CYP3A4ALOX15SMN1; SMN2TDP1ALDH1A1
Ethane SCHEMBL21408556 0.65 CYP3A4 (0.83) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
SCHEMBL6187 0.64
SCHEMBL29351116 0.64
SCHEMBL5167521 0.64 CYP3A4 (1.00) CYP3A4ALOX15SMN1; SMN2CASP1CASP7
2-Nitroaniline SCHEMBL3094201 0.63 PDE7A (0.60) CYP3A4ALOX15SMN1; SMN2TDP1ALDH1A1

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
EP-4282863-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-11-29 EP disclosed
EP-4242285-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2023-09-13 EP disclosed
WO-2008101842-A1 ELECTROLUMINESCENT METAL COMPLEXES WITH BENZOTRIAZOLES BASF SE (CH) 2008-08-28 WO disclosed