SCHEMBL29611513

SCHEMBL29611513

N#CC(=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.48
TP53 P04637 4/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
RAB9A P51151 6/20 0.45
ALDH1A1 P00352 5/20 0.45
NPC1 O15118 5/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 1/20 0.45
MITF O75030 1/20 0.44
FTO Q9C0B1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
THRB P10828 1/20 0.41
JAK3 P52333 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL7688372 0.85 NPC1 (0.56) MAPTTP53MEN1KMT2ARAB9A
SCHEMBL29612077 0.77 MEN1 (0.65) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL28589530 0.77 MEN1 (0.65) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL28931847 0.77 MAPT (0.56) MAPTTP53MEN1KMT2ARAB9A
SCHEMBL22817434 0.77 MAPT (0.56) MAPTTP53MEN1KMT2ARAB9A
SCHEMBL7716072 0.73 ALDH1A1 (0.69) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL7905288 0.73 ALDH1A1 (0.69) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL9915843 0.73 ALDH1A1 (0.69) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL7905291 0.73 ALDH1A1 (0.69) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL17369251 0.73 ALDH1A1 (0.57) MAPTMEN1KMT2ARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087682-B Benzothiazole derivative fluorescent probe, preparation method, intermediate and application 南京师范大学 2022-05-03 CN disclosed