SCHEMBL4664446

SCHEMBL4664446

CCOCCOCCOC(=O)Nc1nc2ccccc2[nH]1.COC(=O)Nc1nc2ccccc2n1C(=O)NCCCCCC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ASAH1 Q13510 4/20 0.39
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37
TUBB4B P68371 2/20 0.37
TUBB3 Q13509 2/20 0.37
TUBB2A Q13885 2/20 0.37
TUBB8 Q3ZCM7 2/20 0.37
TUBA3E Q6PEY2 2/20 0.37
TUBA1A Q71U36 2/20 0.37
TUBA1C Q9BQE3 2/20 0.37
TUBB6 Q9BUF5 2/20 0.37
TUBB2B Q9BVA1 2/20 0.37
TUBB1 Q9H4B7 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 5/20 0.37

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
Benomyl SCHEMBL5269084 0.98 TSHR (0.58) TSHRALDH1A1ASAH1TUBB4ATUBB
SCHEMBL162357 0.83 ALDH1A1 (0.74) TSHRALDH1A1ASAH1HIF1ANPSR1
SCHEMBL29430304 0.83 ALDH1A1 (0.74) TSHRALDH1A1ASAH1HIF1ANPSR1
Benomyl SCHEMBL447867 0.82 ALDH1A1 (0.80) TSHRALDH1A1ASAH1TUBB4ATUBB
SCHEMBL205086 0.79 TSHR (0.76) TSHRALDH1A1ASAH1MAPTLMNA
SCHEMBL202739 0.77 ALDH1A1 (0.66) TSHRALDH1A1ASAH1CYP1A2SMN1; SMN2
SCHEMBL30084551 0.76 LMNA (0.56) TSHRALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL22401 0.76 LMNA (0.56) TSHRALDH1A1TUBB4ATUBBTUBA3C
Thiophanate SCHEMBL2132544 0.76 ALDH1A1 (0.62) TSHRALDH1A1ASAH1TUBB4ATUBB
SCHEMBL9578770 0.74 TSHR (0.91) TSHRALDH1A1ASAH1LMNASMN1; SMN2

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
EP-3769620-A1 A STABLE AGROCHEMICAL COMPOSITION UPL Limited (IN) 2021-01-27 EP disclosed
US-20080220063-A1 Biologic-Chemical Fungicide Compositions and Methods of Use SELVIG THOMAS A 2008-09-11 US disclosed
EP-1949789-A1 Biological-chemical fungicide compositions and methods of use Naturize, Inc. (US) 2008-07-30 EP disclosed
EP-1392118-A4 BIOLOGICAL-CHEMICAL FUNGICIDE COMPOSITIONS AND METHODS OF USE NATURIZE INC (US) 2006-03-15 EP disclosed
US-20050191279-A1 Biologic-chemical fungicide compositions and methods of use NATURIZE LLC. (US) 2005-09-01 US disclosed
EP-1392118-A2 BIOLOGICAL-CHEMICAL FUNGICIDE COMPOSITIONS AND METHODS OF USE Naturize, Inc. (US) 2004-03-03 EP disclosed
US-20030068303-A1 Biologic-chemical fungicide compositions and methods of use NATURIZE, LLC 2003-04-10 US disclosed
WO-2002091824-A2 BIOLOGICAL-CHEMICAL FUNGICIDE COMPOSITIONS AND METHODS OF USE NATURIZE, INC. (US) 2002-11-21 WO disclosed