SCHEMBL27796209

SCHEMBL27796209

[CH2]c1ccc(Cl)cc1NC(=O)CCl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
POLB P06746 3/20 0.54
ALDH1A1 P00352 8/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
BLM P54132 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NOD2 Q9HC29 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
MITF O75030 1/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL2680891 0.82 MEN1 (0.79) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL30612630 0.81 POLB (0.75) MEN1KMT2APOLBLMNAGAA
SCHEMBL247350 0.81 POLB (0.75) MEN1KMT2APOLBLMNAGAA
SCHEMBL4005240 0.79 GAA (0.71) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL29678338 0.79 HPGD (0.62) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL5858216 0.79 HPGD (0.62) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL7761150 0.78 KDM4E (0.74) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL27570593 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL25358934 0.76 ALDH1A1 (0.53) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL29528302 0.76 ALDH1A1 (0.73) MEN1KMT2APOLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103102314-B Benzothiazole, benzoglyoxaline, benzoxazole derivative and its production and use SICHUAN UNIVERSITY (CN) 2015-09-09 CN disclosed
CN-103102314-A Benzothiazole, benzimidazole, benzoxazole derivatives and preparation method and application thereof UNIV SICHUAN 2013-05-15 CN disclosed
CN-101891704-B N-(2-(2-amine)oxyethylthiobenzothiazole-6-)-2-formamide derivative as well as preparation method and applciaiton thereof UNIV SICHUAN 2012-07-04 CN disclosed
CN-101891704-A N-(2-(2-amine)oxyethylthiobenzothiazole-6-)-2-formamide derivative as well as preparation method and applciaiton thereof UNIV SICHUAN 2010-11-24 CN disclosed