SCHEMBL18465084

SCHEMBL18465084

CC(C)(C)OC(=O)NCCC(=O)NCc1ncc2ccccc2c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CKS1B P61024 1/20 0.40
▸ SKP1 P63208 1/20 0.40
▸ SKP2 Q13309 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KDM4A O75164 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ NCEH1 Q6PIU2 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PRNP P04156 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ ABL1 P00519 1/20 0.37

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
SCHEMBL20624848 0.78 CYP3A4 (0.40) CYP3A4KDM4EL3MBTL1CA1CA2
SCHEMBL17537266 0.77 NQO2 (0.55) CYP3A4KDM4EL3MBTL1CA1CA2
SCHEMBL1537644 0.76 CYP3A4 (0.60) CYP3A4L3MBTL1CA1CA2KMT2A
SCHEMBL24742348 0.73 CYP3A4 (0.47) CYP3A4KDM4EL3MBTL1CA1CA2
SCHEMBL30627583 0.71 NQO2 (0.62) KDM4ABCHENQO2NCEH1LMNA
SCHEMBL9524622 0.71 CYP1A2 (0.59) KDM4EL3MBTL1CA1CA2POLB
SCHEMBL13900420 0.68 CA1 (0.48) L3MBTL1CA1CA2TDP1POLB
SCHEMBL8692644 0.67 POLB (0.55) CYP3A4KDM4EL3MBTL1CA1CA2
SCHEMBL25048413 0.67 CA1 (0.60) KDM4EL3MBTL1CA1CA2SIGMAR1
SCHEMBL14102774 0.67 CYP3A4 (0.75) CYP3A4CA1CA2TDP1KMT2A

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-2017018924-A1 RESPIRATORY SYNCYTIAL VIRUS INHIBITORS MEDIVIR AB (SE) 2017-02-02 — — WO disclosed
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