SCHEMBL7595024

SCHEMBL7595024

[CH2]CCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.70
EPHX2 P34913 1/20 0.51
FABP7 O15540 2/20 0.44
FABP5 Q01469 2/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CASP3 P42574 2/20 0.43

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
SCHEMBL19893094 0.96 KMT2A (0.73) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL8762032 0.95 KMT2A (0.75) KMT2AEPHX2FABP7FABP5CA1
SCHEMBL6375583 0.92 KMT2A (0.66) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL5423087 0.91 KMT2A (0.60) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL793384 0.90 KMT2A (0.85) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29468684 0.87 KMT2A (0.72) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL230688 0.87 KMT2A (0.72) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL31031901 0.87 KMT2A (0.72) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL19152620 0.86 KMT2A (0.67) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL23111835 0.86 KMT2A (0.74) KMT2AEPHX2FABP7FABP5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US claimed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-1259250-A1 ENDOPARASITICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2002-11-27 EP disclosed
WO-2001062268-A1 ENDOPARASITICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2001-08-30 WO disclosed
WO-2000034226-A1 POLYAMINE TRANSPORT INHIBITORS UNIVERSITE LAVAL (CA) 2000-06-15 WO disclosed
EP-1003715-A1 POLYAMINE TRANSPORT INHIBITORS UNIVERSITE LAVAL (CA) 2000-05-31 EP disclosed
WO-1999054283-A1 POLYAMINE TRANSPORT INHIBITORS UNIVERSITE LAVAL (CA) 1999-10-28 WO disclosed
US-5859190-A SOLID PHASE SYNTHESIS TO FORM A PROTECTED DIPEPTIDE FOLLOWED BY REACTING WITH 1,1'-THIOCARBONYLDIIMIDAZOLE TO EFFECT RING FORMATION; EFFICIENCY; ANTICONVULSANT,-ARRHYTHMIC AND DIABETIC AGENTS; HERBICIDES AND FUNGICIDES TREGA BIOSCIENCES, INC. (US) 1999-01-12 US disclosed
EP-0876327-A2 POLYAMINE TRANSPORT INHIBITORS UNIVERSITE LAVAL (CA) 1998-11-11 EP disclosed
WO-1998033776-A1 COMBINATORIAL LIBRARIES OF HYDANTOIN AND THIOHYDANTOIN DERIVATIVES, METHODS OF MAKING THE LIBRARIES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998017623-A2 POLYAMINE TRANSPORT INHIBITORS UNIVERSITE LAVAL (US) 1998-04-30 WO disclosed
US-5571793-A COMBATTING ENDOPARASITES IN HUMANS OR ANIMALS BY ADMINISTERING PEPTIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-5529984-A NEMATOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-25 US disclosed
WO-1995027498-A1 USE OF CYCLIC DEPSIPEPTIDES WITH 18 RING ATOMS BAYER AKTIENGESELLSCHAFT (DE) 1995-10-19 WO disclosed