SCHEMBL24864773

SCHEMBL24864773

CCCc1ccc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
EPHX2 P34913 1/20 0.47
OPRD1 P41143 1/20 0.45
CASP3 P42574 1/20 0.43
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
PLAU P00749 1/20 0.40
EPHX1 P07099 1/20 0.40

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
SCHEMBL3177417 0.87 KMT2A (0.62) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL2631637 0.86 KMT2A (0.63) KMT2AEPHX2OPRD1CASP3
SCHEMBL31652901 0.86 KMT2A (0.56) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL2744319 0.86 KMT2A (0.55) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL693419 0.85 KMT2A (0.52) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL16256817 0.85 KMT2A (0.52) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL2057615 0.85 KMT2A (0.55) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL31010055 0.85 KMT2A (0.55) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL14485271 0.85 KMT2A (0.59) KMT2AEPHX2OPRD1CASP3FABP7
SCHEMBL32671446 0.84 KMT2A (0.51) KMT2AEPHX2CASP3

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-2023281480-A1 CONJUGATES OF CHECKPOINT INHIBITORS WITH IL-2, AND USES THEREOF BRIGHT PEAK THERAPEUTICS AG (CH) 2023-01-12 WO disclosed