SCHEMBL28833481

SCHEMBL28833481

COc1ccc(-c2n[nH]c(-c3ccc(OC)c(OC)c3OC)n2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.46
GRK6 P43250 1/20 0.46
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42
TUBB6 Q9BUF5 3/20 0.42
TUBB2B Q9BVA1 3/20 0.42
TUBB1 Q9H4B7 3/20 0.42
MGAM O43451 1/20 0.41

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
SCHEMBL28075584 0.85 KDM4E (0.48) AMY1AKDM4EHSD17B10TUBB4ATUBB
SCHEMBL28095604 0.85 AMY1A (0.46) AMY1AKDM4EHSD17B10MEN1NPC1
SCHEMBL28096010 0.85 KDM4E (0.55) GRK6KDM4EHSD17B10TUBB4ATUBB
SCHEMBL28106612 0.83 AMY1A (0.46) AMY1AKDM4EMEN1MAPTKMT2A
SCHEMBL28106125 0.82 NR1H2 (0.50) AMY1AKDM4EHSD17B10MEN1NPC1
SCHEMBL28106147 0.82 PSEN1 (0.47) AMY1AKDM4EHSD17B10GAAMAPT
SCHEMBL28106610 0.82 NR1H2 (0.50) AMY1AGRK6KDM4EHSD17B10NPC1
SCHEMBL28106128 0.82 NPC1 (0.50) AMY1AKDM4EHSD17B10GAANPC1
SCHEMBL28835288 0.81 ADORA2A (0.47) AMY1AMEN1NPC1MAPTRAB9A
SCHEMBL28106139 0.81 NPC1 (0.56) AMY1AGRK6KDM4EHSD17B10MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106243130-B 3,6- diaryl-[1,2,4] triazole simultaneously [3,4-b] [1,3,4] diazthines compound and application thereof 沈阳药科大学 2019-03-01 CN claimed
CN-106243130-A 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof 沈阳药科大学 2016-12-21 CN claimed
CN-106243130-A 3,6 diaryl [1,2,4] triazole also [3,4 b] [1,3,4] diazthines compound and application thereof 沈阳药科大学 2016-12-21 CN disclosed