SCHEMBL16486347

SCHEMBL16486347

O=C(O)/C=C/c1ccc(/C=C/C(=O)O)c(NCCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
EPHX2 P34913 1/20 0.39
CASP3 P42574 2/20 0.36
FABP7 O15540 1/20 0.34
FABP5 Q01469 1/20 0.34

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
SCHEMBL16781651 0.86 KMT2A (0.49) KMT2AEPHX2CASP3
SCHEMBL16781650 0.86 KMT2A (0.49) KMT2AEPHX2CASP3
SCHEMBL16781639 0.79 KMT2A (0.44) KMT2AEPHX2
SCHEMBL16781640 0.79 KMT2A (0.44) KMT2AEPHX2
SCHEMBL15341324 0.76 KMT2A (0.51) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL8248504 0.75 KMT2A (0.39) KMT2AEPHX2
SCHEMBL23111835 0.75 KMT2A (0.74) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL30946961 0.73 EPHX2 (0.57) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL3026492 0.73 EPHX2 (0.57) KMT2AEPHX2CASP3FABP7FABP5
SCHEMBL3026489 0.73 EPHX2 (0.57) KMT2AEPHX2CASP3FABP7FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082876-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Genentech, Inc. (US) 2016-10-26 EP disclosed
EP-3033111-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT Genentech, Inc. (US) 2016-06-22 EP disclosed
WO-2015095212-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH, INC. (US) 2015-06-25 WO disclosed
WO-2015023355-A1 1-(CHLOROMETHYL)-2,3-DIHYDRO-1H-BENZO[E]INDOLE DIMER ANTIBODY-DRUG CONJUGATE COMPOUNDS, AND METHODS OF USE AND TREATMENT GENENTECH, INC. (US) 2015-02-19 WO disclosed