SCHEMBL28005177

SCHEMBL28005177

COc1cc(-c2sc(N)nc2-c2ccc3ccccc3c2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.50
EPHB4 P54760 1/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPK1 P28482 3/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADORA1 P30542 2/20 0.48
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
FBP1 P09467 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
TUBB4A P04350 1/20 0.44

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
SCHEMBL28005220 0.87 TUBB4A (0.52) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL28005179 0.87 ALDH1A1 (0.62) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL28005576 0.82 KDM4E (0.50) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL28005174 0.82 ADORA1 (0.50) MAPTALDH1A1LMNAADORA1KDM4E
SCHEMBL28005163 0.81 FYN (0.59) MAPTALDH1A1ADORA1CYP1A2CYP2D6
SCHEMBL28005196 0.81 TUBB4A (0.49) MAPTALDH1A1MAPK1LMNAADORA1
SCHEMBL28005182 0.81 PDGFRB (0.51) PDGFRBMAPTALDH1A1MEN1KMT2A
SCHEMBL28005543 0.80 ADORA1 (0.48) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL28005506 0.80 SMN1; SMN2 (0.53) MAPTALDH1A1MAPK1LMNAMEN1
SCHEMBL28005161 0.80 ADORA1 (0.43) EPHB4MAPTALDH1A1MAPK1LMNA

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