SCHEMBL729362

SCHEMBL729362

CC(C)C[C@H](NC(=O)OCC1C2=C(CCC=C2)c2ccccc21)c1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 3/20 0.35
TP53 P04637 3/20 0.35
CASP3 P42574 2/20 0.34
AAK1 Q2M2I8 4/20 0.34
PIN1 Q13526 1/20 0.34
PTPN1 P18031 1/20 0.33
MDM2 Q00987 1/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL10076575 0.81 CASP3 (0.41) MDM4TP53CASP3PIN1KMT2A
SCHEMBL24448592 0.75 KMT2A (0.36) MDM4TP53CASP3PIN1KMT2A
SCHEMBL21895802 0.75 TLR2 (0.45) MDM4TP53CASP3MDM2
SCHEMBL20839708 0.75 MDM4 (0.47) MDM4TP53CASP3MDM2KMT2A
SCHEMBL24633696 0.74 MDM4 (0.46) MDM4TP53CASP3MDM2
SCHEMBL10051474 0.73 KMT2A (0.37) CASP3PIN1KMT2A
SCHEMBL1414413 0.73 MDM4 (0.44) MDM4TP53CASP3MDM2KMT2A
SCHEMBL1414410 0.73 MDM4 (0.44) MDM4TP53CASP3MDM2KMT2A
SCHEMBL23395771 0.72 CASP3 (0.40) MDM4TP53CASP3PIN1MDM2
SCHEMBL26761659 0.72 MDM4 (0.38) MDM4TP53CASP3MDM2

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-2011156557-A2 COMPOUNDS ACTIVE AT THE NEUROTENSIN RECEPTOR THOMAS JAMES B (US) 2011-12-15 WO disclosed