SCHEMBL30945913

SCHEMBL30945913

Nc1ccc(Br)cc1-c1nc2ccccc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.67
KDM4E B2RXH2 7/20 0.67
NPC1 O15118 7/20 0.67
RAB9A P51151 7/20 0.67
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
GAA P10253 5/20 0.67
ALDH1A1 P00352 5/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
NPSR1 Q6W5P4 2/20 0.54
APP P05067 6/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 1/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
CASP1 P29466 1/20 0.54
SNCA P37840 1/20 0.54
CASP7 P55210 1/20 0.54

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
SCHEMBL29224077 1.00 MAPT (0.67) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL31530841 0.88 MAPT (0.67) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL2481443 0.84 KDM4E (0.56) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL29478088 0.84 KDM4E (0.73) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL20380097 0.84 KDM4E (0.73) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL25328301 0.82 MAPT (0.67) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL3302516 0.82 MAPT (0.67) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL25327971 0.82 MAPT (0.71) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL2788646 0.82 MAPT (0.69) MAPTKDM4ENPC1RAB9AMEN1
SCHEMBL29478092 0.82 MAPT (0.71) MAPTKDM4ENPC1RAB9AMEN1

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-118146174-A D-A organic fluorescent small molecule based on 2- (2-aminophenyl) benzothiazole, preparation method and application thereof in phosgene and sarin detection 吉林大学 2024-06-07 CN disclosed