SCHEMBL19086744

SCHEMBL19086744

C[C@H](Cc1ccc(Cl)cc1Cl)C[C@H](C(O)C(C)(C)C)n1nc[nH]c1=S

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DBH P09172 1/20 0.34
PKM P14618 1/20 0.33
MC4R P32245 7/20 0.32
EPHX1 P07099 1/20 0.31
PDE9A O76083 1/20 0.31
NPC1 O15118 1/20 0.30
ACP1 P24666 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL671890 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL672027 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL671304 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL671891 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL19280768 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL671305 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL672688 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL19733283 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL19280757 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA
SCHEMBL672689 1.00 KMT2A (0.51) KMT2AMEN1TDP1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3994130-B1 SUBSTITUTED THIOPHENE CARBOXAMIDES AND DERIVATIVES THEREOF AS MICROBICIDES BAYER AG (DE) 2024-07-10 EP disclosed
EP-3525588-B1 4-SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI INDUSTRIES LTD (IN) 2024-04-24 EP disclosed
EP-4285723-A2 SUBSTITUTED THIOPHENE CARBOXAMIDES, THIOPHENE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Bayer Aktiengesellschaft (DE) 2023-12-06 EP disclosed
EP-3525589-B1 4-ARYLAMINO SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE TO PROTECT CROPS BY FIGHTING UNDESIRED PHYTOPATHOGENIC MICOORGANISMS PI INDUSTRIES LTD (IN) 2023-12-06 EP disclosed
EP-3784661-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-11-22 EP disclosed
EP-3481195-B1 AQUEOUS COMPOSITIONS FOR TREATING SEEDS, SEEDS TREATED THEREWITH, AND METHODS FOR TREATING SEEDS COVESTRO LLC ET AL (US) 2023-08-09 EP disclosed
EP-3919486-B1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES BAYER AG (DE) 2023-06-07 EP disclosed
EP-3481194-B1 AQUEOUS COMPOSITIONS FOR TREATING SEEDS, SEEDS TREATED THEREWITH, AND METHODS FOR TREATING SEEDS COVESTRO LLC ET AL (US) 2022-08-03 EP disclosed
EP-3765466-B1 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AG (DE) 2022-05-25 EP disclosed
EP-3335559-A1 ACTIVE COMPOUND COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2018-06-20 EP disclosed
EP-3305786-A2 CONDENSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2018-04-11 EP disclosed
EP-2958430-B1 USE OF PROTHIOCONAZOLE TO INDUCE HOST DEFENCE RESPONSES BAYER CROPSCIENCE AG (DE) 2017-12-27 EP disclosed
EP-3238540-A1 TIMED-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
EP-2953942-B1 HALOGEN-SUBSTITUTED PYRAZOLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-25 EP disclosed
EP-3024330-B1 IMIDAZOTHIA(DIA)ZOLE SULFONAMIDES AS NEMATICIDES BAYER CROPSCIENCE AG (DE) 2017-08-30 EP disclosed
EP-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed