SCHEMBL30700359

SCHEMBL30700359

CC(C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1cc(Br)sc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
KMT2A Q03164 2/20 0.41
MDM4 O15151 2/20 0.35
TP53 P04637 2/20 0.35
IKBKB O14920 3/20 0.35
CASP3 P42574 1/20 0.35
PIN1 Q13526 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
SCHEMBL18557550 0.76 KMT2A (0.56) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL879811 0.75 EPHX2 (0.49) EPHX2KMT2A
SCHEMBL14343926 0.74 IKBKB (0.39) IKBKB
SCHEMBL119779 0.73 KMT2A (0.54) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL29362505 0.73 KMT2A (0.54) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL29503775 0.73 KMT2A (0.54) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL11947976 0.72 KMT2A (0.53) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL15434691 0.72 KMT2A (0.53) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL27443155 0.71 KMT2A (0.56) EPHX2KMT2AMDM4TP53CASP3
SCHEMBL10205819 0.71 KMT2A (0.58) EPHX2KMT2AMDM4TP53CASP3

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-3533797-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2023-12-20 EP disclosed