SCHEMBL4437539

SCHEMBL4437539

FC(F)(F)Sc1c[nH]c2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.55
TUBB P07437 2/20 0.55
TUBA3C P0DPH7 2/20 0.55
TUBA1B P68363 2/20 0.55
TUBA4A P68366 2/20 0.55
TUBB4B P68371 2/20 0.55
TUBB3 Q13509 2/20 0.55
TUBB2A Q13885 2/20 0.55
TUBB8 Q3ZCM7 2/20 0.55
TUBA3E Q6PEY2 2/20 0.55
TUBA1A Q71U36 2/20 0.55
TUBA1C Q9BQE3 2/20 0.55
TUBB6 Q9BUF5 2/20 0.55
TUBB2B Q9BVA1 2/20 0.55
TUBB1 Q9H4B7 2/20 0.55
IDO1 P14902 2/20 0.50
GFER P55789 1/20 0.50
STAT3 P40763 1/20 0.46
MAPK1 P28482 1/20 0.46
PGR P06401 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
SCHEMBL2186978 0.85 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30358586 0.85 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24191060 0.85 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24191119 0.82 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24191374 0.81 TUBB4A (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL24191196 0.78 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5307941 0.77 TUBB4A (0.77) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9328490 0.77 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28694001 0.77 IDO1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28691199 0.77 GPR84 (0.50) HTR1AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109694339-A A kind of novel trifluoromethylthio reagent and its application 天津科技大学 2019-04-30 CN claimed
CN-106748915-A A kind of trifluoromethylthio reagent and its application 南京理工大学 2017-05-31 CN claimed
CN-108863897-B Synthesis method of trifluoromethyl thioetherified indole derivative 天津师范大学 2021-08-31 CN disclosed
CN-108586312-B Green sulfuration method of indole compound by using triphosgene as reducing agent 丽水学院 2021-03-05 CN disclosed
CN-109694339-A A kind of novel trifluoromethylthio reagent and its application 天津科技大学 2019-04-30 CN disclosed
CN-108863897-A The synthetic method of trifluoromethyl thioetherification indole derivatives 天津师范大学 2018-11-23 CN disclosed
CN-108586312-A It is a kind of using triphosgene as the Benzazole compounds green vulcanization process of reducing agent 丽水学院 2018-09-28 CN disclosed
CN-104945304-B Trifluoromethylthio aromatic hydrocarbons or heteroaryl hydrocarbon compound and preparation method thereof 深圳市中科邦奇氟医学材料有限公司 2018-08-03 CN disclosed
CN-105985266-B Trifluoromethylthio reagent, preparation method and applications 中国科学院上海有机化学研究所 2018-02-16 CN disclosed
CN-106748608-A A kind of preparation method of trifluoromethylthio substituent indole compound 南京理工大学 2017-05-31 CN disclosed
CN-106748915-A A kind of trifluoromethylthio reagent and its application 南京理工大学 2017-05-31 CN disclosed
CN-106748915-A A kind of trifluoromethylthio reagent and its application 南京理工大学 2017-05-31 CN disclosed
EP-2114874-A2 METHOD FOR PREPARING FLUORINATED SULPHANYLAMIDES AND SULPHINAMIDINES AND USES THEREOF Aventis Pharma S.A. (FR) 2009-11-11 EP disclosed
WO-2008110698-A2 METHOD FOR PREPARING FLUORINATED SULPHANYLAMIDES AND SULPHINAMIDINES AND USES THEREOF AVENTIS PHARMA S.A. (FR) 2008-09-18 WO disclosed
CN-1143636-A Indoles as insecticides and acaricides AMERICAN CYANAMID CO (US) 1997-02-26 CN disclosed
US-5599832-A INDOLES SUBSTITUTED WITH GROUPS BOTH ELECTRON WITHDRAWING AND LIPOPHILIC; GROWING, HARVESTING AND STORAGE OF CROPS AMERICAN CYANAMID COMPANY (US) 1997-02-04 US disclosed
US-5502071-A PLANTS AMERICAN CYANAMID COMPANY (US) 1996-03-26 US disclosed
EP-0697172-A1 Indoles as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1996-02-21 EP disclosed