SCHEMBL28075488

SCHEMBL28075488

COc1ccc(-c2n[nH]c(-c3cc(OC)c(OC)c(OC)c3)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
NR1H2 P55055 1/20 0.51
NR1H3 Q13133 1/20 0.51
ACHE P22303 1/20 0.50
PDGFRB P09619 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
GRK6 P43250 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47

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
SCHEMBL28833548 0.87 KDM4E (0.57) KDM4EPOLBTSHRNR1H2NR1H3
SCHEMBL28095619 0.87 KDM4E (0.57) KDM4EPOLBTSHRNR1H2NR1H3
SCHEMBL17279690 0.87 NR1H2 (0.60) KDM4EPOLBTSHRNR1H2NR1H3
SCHEMBL28096011 0.85 KDM4E (0.55) KDM4EPOLBTSHRNR1H2NR1H3
SCHEMBL15117068 0.85 KDM4E (0.67) KDM4ENR1H2NR1H3ADORA2AADORA1
SCHEMBL17280055 0.84 KDM4E (0.60) KDM4EPOLBTSHRNR1H2NR1H3
SCHEMBL28075481 0.84 KDM4E (0.57) KDM4EPOLBTSHRNR1H2NR1H3
SCHEMBL28096010 0.82 KDM4E (0.55) KDM4EPOLBTSHRGRK6HSD17B10
SCHEMBL28096008 0.82 KDM4E (0.55) KDM4EPOLBTSHRNR1H2NR1H3
SCHEMBL28095606 0.82 KDM4E (0.55) KDM4EPOLBTSHRNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106008557-B 3,6- diaryl-[1,2,4] triazole simultaneously purposes of [3,4-b] [1,3,4] thiadiazole compound as tumor cell proliferation inhibitor 沈阳药科大学 2019-03-01 CN claimed
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-106008557-A Application of 3,6-diaryl-[1,2,4] triazolo[3,4-b][1,3,4] thiadiazole compound as tumor cell proliferation inhibitor 沈阳药科大学 2016-10-12 CN claimed
CN-106008557-B 3,6- diaryl-[1,2,4] triazole simultaneously purposes of [3,4-b] [1,3,4] thiadiazole compound as tumor cell proliferation inhibitor 沈阳药科大学 2019-03-01 CN disclosed
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 disclosed
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
CN-106008557-A Application of 3,6-diaryl-[1,2,4] triazolo[3,4-b][1,3,4] thiadiazole compound as tumor cell proliferation inhibitor 沈阳药科大学 2016-10-12 CN disclosed