SCHEMBL12671602

SCHEMBL12671602

O=C(O)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.58
▸ KMT2A Q03164 2/20 0.55
▸ MDM4 O15151 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ EPHX2 P34913 1/20 0.47
▸ MDM2 Q00987 3/20 0.47

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
SCHEMBL29381847 1.00 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL30493066 1.00 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29367388 0.90 CASP3 (0.64) CASP3KMT2AMDM4TP53MDM2
SCHEMBL29401049 0.90 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29352428 0.90 CASP3 (0.64) CASP3KMT2AMDM4TP53MDM2
SCHEMBL378041 0.90 CASP3 (0.64) CASP3KMT2AMDM4TP53MDM2
SCHEMBL1486199 0.90 CASP3 (0.64) CASP3KMT2AMDM4TP53MDM2
SCHEMBL378040 0.90 CASP3 (0.64) CASP3KMT2AMDM4TP53MDM2
SCHEMBL30055375 0.90 CASP3 (0.64) CASP3KMT2AMDM4TP53MDM2
SCHEMBL26258624 0.89 CASP3 (0.52) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011054845-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
Send feedback