SCHEMBL28005196

SCHEMBL28005196

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.49
TUBB P07437 3/20 0.49
TUBA3C P0DPH7 3/20 0.49
TUBA1B P68363 3/20 0.49
TUBA4A P68366 3/20 0.49
TUBB4B P68371 3/20 0.49
TUBB3 Q13509 3/20 0.49
TUBB2A Q13885 3/20 0.49
TUBB8 Q3ZCM7 3/20 0.49
TUBA3E Q6PEY2 3/20 0.49
TUBA1A Q71U36 3/20 0.49
TUBA1C Q9BQE3 3/20 0.49
TUBB6 Q9BUF5 3/20 0.49
TUBB2B Q9BVA1 3/20 0.49
TUBB1 Q9H4B7 3/20 0.49
ADORA1 P30542 1/20 0.47
NEK2 P51955 1/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL28005506 0.85 SMN1; SMN2 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28005543 0.83 ADORA1 (0.48) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28005179 0.82 ALDH1A1 (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28005220 0.82 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28005503 0.81 ADORA3 (0.57) NEK2MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL28005177 0.81 PDGFRB (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10120710 0.78 KDM4E (0.53) ADORA1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL28005576 0.78 KDM4E (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8067414 0.76 MAPT (0.69) ADORA1MAPTKDM4ESMN1; SMN2LMNA
SCHEMBL10120711 0.76 KDM4E (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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