SCHEMBL2764568

SCHEMBL2764568

COc1cc(-c2ccccc2C(N)=S)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
TUBB1 Q9H4B7 1/20 0.49
FYN P06241 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
RAD52 P43351 1/20 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
SCHEMBL28216057 0.84 HTT (0.50) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10316385 0.84 HTT (0.57) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1617954 0.79 ERN1 (0.64) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL29466480 0.79 HTT (0.62) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6891909 0.78 CA1 (0.48) HTTALDH1A1HPGDRAD52CA1
SCHEMBL1616441 0.78 HTT (0.57) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1618022 0.78 HTT (0.60) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL13356593 0.77 HTT (0.56) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17301353 0.76 TUBB4A (0.62) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1180921 0.76 ABL1 (0.51) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110343070-A A kind of Antitubulin and the preparation method and application thereof 山东大学 2019-10-18 CN claimed
CN-110343070-A A kind of Antitubulin and the preparation method and application thereof 山东大学 2019-10-18 CN disclosed
EP-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
CN-100491355-C Cyclic diamine compound having five-membered cyclic group KOWA CO (JP) 2009-05-27 CN disclosed
CN-1522250-A Cyclic diamine compound having five-membered cyclic group ������������ʽ���� 2004-08-18 CN disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed