SCHEMBL3958686

SCHEMBL3958686

CCCCc1ccc2nn[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 8/20 0.45
TUBB P07437 8/20 0.45
TUBA3C P0DPH7 8/20 0.45
TUBA1B P68363 8/20 0.45
TUBA4A P68366 8/20 0.45
TUBB4B P68371 8/20 0.45
TUBB3 Q13509 8/20 0.45
TUBB2A Q13885 8/20 0.45
TUBB8 Q3ZCM7 8/20 0.45
TUBA3E Q6PEY2 8/20 0.45
TUBA1A Q71U36 8/20 0.45
TUBA1C Q9BQE3 8/20 0.45
TUBB6 Q9BUF5 8/20 0.45
TUBB2B Q9BVA1 8/20 0.45
TUBB1 Q9H4B7 8/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 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
SCHEMBL18986083 0.95 S1PR1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3957264 0.94 S1PR1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10703874 0.94 S1PR1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL14208120 0.90 CNR1 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL242265 0.87 HTR1A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28419742 0.85 HTR1A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6365081 0.85 HTR1A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30387310 0.85 HTR1A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Benzotriazole SCHEMBL10537165 0.83 ATP4A (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL318089 0.82 KIF11 (0.41) LMNACYP1A2NPC1RAB9ATP53

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109679716-B Composite lithium-based lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-06-28 CN disclosed
CN-109679715-B Automobile automatic transmission fluid composition and preparation method thereof 中国石油化工股份有限公司 2022-06-28 CN disclosed
CN-109679717-B Compressor lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-06-24 CN disclosed
CN-109679709-B Universal gear lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-06-24 CN disclosed
EP-3450440-B1 BENZOTRIAZOLE DERIVATIVE, MANUFACTURING METHOD THEREFOR AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2022-05-18 EP disclosed
CN-109679753-B Bentonite lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109679721-B Industrial lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109679743-B Fully synthetic industrial gear lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109679730-B Lubricating grease and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
CN-109679723-B Turbine lubricating oil composition and preparation method thereof 中国石油化工股份有限公司 2022-05-03 CN disclosed
EP-2907844-B1 RESIN COMPOSITION FOR PRINTING FILM AND PRINTING FILM ADEKA CORP (JP) 2017-09-20 EP disclosed
US-20150232626-A1 RESIN COMPOSITION FOR PRINTING FILM AND PRINTING FILM ADEKA CORPORATION (JP) 2015-08-20 US disclosed
EP-2907844-A1 RESIN COMPOSITION FOR PRINTING FILM AND PRINTING FILM Adeka Corporation (JP) 2015-08-19 EP disclosed
CN-104704044-A Resin composition for printed film and printed film ADEKA CORP 2015-06-10 CN disclosed
US-7534823-B2 Vinyl chloride resin composition ADEKA CORPORATION (JP) 2009-05-19 US disclosed
US-20080045635-A1 Vinyl Chloride Resin Composition ADEKA CORPORATION (JP) 2008-02-21 US disclosed
US-7184198-B2 Display element KONICA MINOLTA HOLDINGS, INC. (JP) 2007-02-27 US disclosed
US-7184198-B2 Display element KONICA MINOLTA HOLDINGS, INC. (JP) 2007-02-27 US disclosed
CN-1261499-C Chlorine contg. resin compsns. AKISHIMA CHEMICAL INDUSTRY CO (JP) 2006-06-28 CN disclosed
CN-1519270-A Chlorine contg. resin compsns. 昭岛化学工业株式会社 2004-08-11 CN disclosed