SCHEMBL29870686

SCHEMBL29870686

COc1nn(C)c(=O)n1-c1ccccc1CO/N=C(\C)c1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
MAOB P27338 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
MAOA P21397 1/20 0.33
HTR2A P28223 1/20 0.33
ABHD6 Q9BV23 1/20 0.33

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
SCHEMBL32678199 1.00 KMT2A (0.37) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL119998 1.00 KMT2A (0.37) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL959562 1.00 KMT2A (0.37) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL119997 1.00 KMT2A (0.37) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL9049391 0.89 KMT2A (0.38) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL9049388 0.89 KMT2A (0.38) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL8155257 0.89 GAA (0.34) KMT2AMEN1NPSR1POLBMAOB
SCHEMBL8155255 0.89 GAA (0.34) KMT2AMEN1NPSR1POLBMAOB
SCHEMBL13490744 0.88 KMT2A (0.40) KMT2AMEN1PPARGPPARANPSR1
SCHEMBL8658637 0.88 PPARG (0.38) KMT2AMEN1PPARGPPARANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3107912-B1 DERIVATIVES OF 2-(HET)ARYL-SUBSTITUTED CONDENSED BICYCLIC HETEROCYCLES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2024-07-10 EP disclosed
EP-4384013-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2024-06-19 EP disclosed
EP-4298908-A2 TRICYCLIC CARBOXAMIDES FOR THE CONTROL OF ARTHROPODS Bayer Animal Health GmbH (DE) 2024-01-03 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-3601279-B1 TRICYCLIC CARBOXAMIDES AS CONTROL AGENT FOR ARTHROPODS BAYER ANIMAL HEALTH GMBH (DE) 2023-10-18 EP disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 EP disclosed
EP-3556211-B1 ORGANIC AMMONIUM SALTS OF ANIONIC PESTICIDES CLARIANT INT LTD (CH) 2023-01-25 EP disclosed
WO-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed
EP-4061798-A1 SOLVATES OF ABSCISIC ACID AND LIQUID COMPOSITIONS CONTAINING ABSCISIC ACID Clariant International Ltd (CH) 2022-09-28 EP disclosed