SCHEMBL11033484

SCHEMBL11033484

Nc1ccccc1C=CC=Cc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.47
ALOX15 P16050 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAOB P27338 2/20 0.39
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
TSHR P16473 5/20 0.38
TDP1 Q9NUW8 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL11033480 1.00 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL14468404 0.89 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL24589393 0.89 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6662242 0.89 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL6662231 0.89 CYP3A4 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL65321 0.88 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL38340 0.88 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3765477 0.88 CYP3A4 (0.53) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL11287552 0.86 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL15285378 0.86 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59053554-A None JP disclosed
JP-S5953554-A DISAZO DYE AND PHOTOCONDUCTIVE COMPOSITION AND PHOTOSENSITIVE MATERIAL FOR ELECTROPHOTOGRAPHY CONTAINING THE SAME FUJI PHOTO FILM CO LTD 1984-03-28 JP disclosed