SCHEMBL28117525

SCHEMBL28117525

COc1ccc(-c2csc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.59
KMT2A Q03164 11/20 0.59
MAPT P10636 7/20 0.59
MAPK1 P28482 4/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 4/20 0.59
POLB P06746 2/20 0.59
HTT P42858 2/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
PKM P14618 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59
ALOX12 P18054 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX5 P09917 1/20 0.59
CYP1A2 P05177 2/20 0.57

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
SCHEMBL12298237 0.93 MEN1 (0.65) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL28117528 0.90 CYP1A1 (0.69) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL28117523 0.86 ALOX5 (0.59) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL28117517 0.86 PTGES (0.68) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL28330115 0.84 PTGS2 (0.73) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL14458591 0.83 ALOX5 (0.62) MEN1KMT2AMAPTMAPK1GAA
SCHEMBL28117072 0.83 MEN1 (0.64) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12297793 0.83 ALOX5 (0.61) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL12298231 0.83 CYP1B1 (0.67) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL1890637 0.83 BRAF (0.62) MEN1KMT2AMAPTMAPK1ALDH1A1

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-106220582-B n, 4-diaryl thiazole-2-amine compound and application thereof as tumor cell proliferation inhibitor 沈阳药科大学 2019-12-10 CN claimed
CN-106220582-A N, 4 diaryl thiazole 2 aminated compoundss and the purposes as tumor cell proliferation inhibitor thereof 沈阳药科大学 2016-12-14 CN claimed
CN-106220582-B n, 4-diaryl thiazole-2-amine compound and application thereof as tumor cell proliferation inhibitor 沈阳药科大学 2019-12-10 CN disclosed
CN-106220582-A N, 4 diaryl thiazole 2 aminated compoundss and the purposes as tumor cell proliferation inhibitor thereof 沈阳药科大学 2016-12-14 CN disclosed