SCHEMBL28005503

SCHEMBL28005503

CCOc1ccc(-c2nc(NC(N)=O)sc2-c2cc(OC)c(OC)c(OC)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.57
ADORA2B P29275 1/20 0.57
MAPT P10636 8/20 0.55
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CSNK1D P48730 2/20 0.49
PTGS2 P35354 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
THRB P10828 1/20 0.46
NEK2 P51955 1/20 0.44
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PPARD Q03181 1/20 0.43

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
SCHEMBL28005196 0.81 TUBB4A (0.49) MAPTALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4057561 0.72 ADORA3 (1.00) ADORA3ADORA2BMAPTALDH1A1KDM4E
SCHEMBL9548033 0.71 MAPT (0.69) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL9548102 0.71 MAPT (0.69) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL7786558 0.70 TUBB1 (0.83) L3MBTL1
SCHEMBL1303254 0.70 SMN1; SMN2 (0.61) ADORA3MAPTALDH1A1KDM4ELMNA
SCHEMBL6546252 0.69 MAPT (0.66) ADORA3ADORA2BMAPTALDH1A1KDM4E
SCHEMBL6426146 0.69 TUBB4A (0.78) MAPTALDH1A1KDM4ELMNACSNK1D
SCHEMBL1304286 0.69 PLTP (0.62) MAPTALDH1A1KDM4ELMNAGAA
SCHEMBL1304135 0.68 MAPT (0.53) ADORA3MAPTALDH1A1KDM4ELMNA

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-104418821-A 2, 4-substituted 5- (3,4, 5-trimethoxyphenyl) thiazole derivative and preparation method and application thereof WEST CHINA HOSPITAL SICHUAN UNIV 2015-03-18 CN claimed
CN-104418821-A 2, 4-substituted 5- (3,4, 5-trimethoxyphenyl) thiazole derivative and preparation method and application thereof WEST CHINA HOSPITAL SICHUAN UNIV 2015-03-18 CN disclosed