SCHEMBL28614565

SCHEMBL28614565

CC(=O)c1ccc(N(c2ccccc2)c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPSR1 Q6W5P4 1/20 0.49
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 2/20 0.46
MAOB P27338 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
CASP3 P42574 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44

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
SCHEMBL7050772 0.91 MAPT (0.59) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL29895062 0.91 MAPT (0.59) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL15725683 0.85 MAPT (0.70) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL15723247 0.85 MAPT (0.70) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL711456 0.85 MAPT (0.70) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL15723250 0.85 MAPT (0.70) MAPTSMN1; SMN2NPSR1RAB9ANPC1
SCHEMBL31329359 0.85 AKR1C3 (0.55) MAPTNPSR1RAB9ANPC1HPGD
Bromobenzene SCHEMBL27532807 0.85 SMN1; SMN2 (0.61) MAPTSMN1; SMN2RAB9ANPC1HPGD
Benzene SCHEMBL27947348 0.84 MAPT (0.60) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL13320283 0.84 SMN1; SMN2 (0.52) MAPTSMN1; SMN2NPSR1RAB9ANPC1

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
CN-113307818-B Fluorescent probe with fluorescence imaging and photodynamic functions, nano preparation thereof and preparation method 复旦大学 2022-09-02 CN disclosed
CN-113307818-A Fluorescent probe with fluorescence imaging and photodynamic functions, nano preparation thereof and preparation method 复旦大学 2021-08-27 CN disclosed