SCHEMBL28117523

SCHEMBL28117523

COc1ccc(-c2csc(Nc3cc(OC)c(OC)c(OC)c3)n2)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
CYP1A1 P04798 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP1B1 Q16678 2/20 0.57
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
MAPT P10636 5/20 0.56
MAPK1 P28482 2/20 0.55
HTT P42858 1/20 0.55
PLAU P00749 2/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
GAA P10253 3/20 0.52
PTGS2 P35354 2/20 0.51
ALDH1A1 P00352 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTGES O14684 1/20 0.51

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
SCHEMBL28117528 0.90 CYP1A1 (0.69) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL28117525 0.86 MEN1 (0.59) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL28117517 0.86 PTGES (0.68) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL28330115 0.84 PTGS2 (0.73) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL14458591 0.83 ALOX5 (0.62) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL12298237 0.83 MEN1 (0.65) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL28117072 0.83 MEN1 (0.64) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL12298231 0.83 CYP1B1 (0.67) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL12297793 0.83 ALOX5 (0.61) ALOX5CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL1890637 0.83 BRAF (0.62) ALOX5CYP1A1CYP1A2CYP1B1MEN1

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