SCHEMBL30044239

SCHEMBL30044239

O=C(/C=C/c1ccccn1)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 15/20 1.00
IKBKB O14920 4/20 0.68
CHUK O15111 4/20 0.68
AKT1 P31749 4/20 0.68
AKT2 P31751 4/20 0.68
AKT3 Q9Y243 4/20 0.68

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
SCHEMBL19863741 1.00 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL23497993 1.00 PADI4 (1.00) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857822 0.96 PADI4 (0.92) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19863734 0.93 PADI4 (0.87) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857753 0.92 PADI4 (0.85) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857844 0.92 PADI4 (0.85) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857756 0.92 PADI4 (0.85) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857761 0.92 PADI4 (0.85) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19863753 0.90 PADI4 (0.82) PADI4IKBKBCHUKAKT1AKT2
SCHEMBL19857786 0.90 PADI4 (0.82) PADI4IKBKBCHUKAKT1AKT2

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
EP-4073054-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF TUMORS Fondazione Istituto Italiano di Tecnologia (IT) 2022-10-19 EP disclosed