SCHEMBL28072437

SCHEMBL28072437

NCc1ccc(-c2nsc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 1/20 0.46
TAAR1 Q96RJ0 4/20 0.46
HRH3 Q9Y5N1 1/20 0.42
ADRB2 P07550 1/20 0.41
LTA4H P09960 1/20 0.40
LOXL2 Q9Y4K0 3/20 0.38
CYP2A6 P11509 2/20 0.38
EPAS1 Q99814 2/20 0.37
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LSS P48449 1/20 0.34
GRM4 Q14833 1/20 0.33
SGK1 O00141 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
SCHEMBL28072320 0.86 KDM4E (0.42) KDM4EALDH1A1HSD17B10MAPTTAAR1
SCHEMBL11352247 0.83 KDM4E (0.42) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL6964514 0.80 KDM4E (0.52) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL28072438 0.77 KDM4E (0.46) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL11359600 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL29940995 0.77 EPAS1 (0.54) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL30987223 0.75 MAPT (0.60) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL28563540 0.75 MAPT (0.60) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL24566449 0.75 MAPT (0.47) KDM4EALDH1A1HSD17B10MAPTEPAS1
SCHEMBL28072318 0.75 KDM4E (0.47) KDM4EALDH1A1HSD17B10MAPTLOXL2

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-105669588-B The preparation method of benzisothiazole analog derivative 天津大学 2017-11-07 CN disclosed
CN-105669588-A Preparation method of benzisothiazole derivative 天津大学 2016-06-15 CN disclosed