SCHEMBL30013638

SCHEMBL30013638

CN(C(=O)OC(C)(C)C)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
PAX8 Q06710 1/20 0.42
RIPK1 Q13546 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 1/20 0.39
CREBBP Q92793 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CLK1 P49759 1/20 0.37
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL67115 1.00 BRD4 (0.51) BRD4PAX8RIPK1KMT2AMEN1
SCHEMBL29971432 0.83 BRD4 (0.40) BRD4PAX8KMT2AMEN1NPSR1
SCHEMBL10210873 0.83 BRD4 (0.52) BRD4PAX8LMNAKDM4ESMN1; SMN2
SCHEMBL30504285 0.83 BRD4 (0.62) BRD4PAX8KMT2AMEN1NPSR1
SCHEMBL2377323 0.82 MTNR1A (0.40) BRD4RIPK1KMT2AMEN1MTNR1A
SCHEMBL3910121 0.81 BRD4 (0.51) BRD4PAX8KMT2AMEN1NPSR1
SCHEMBL14065550 0.81 BRD4 (0.51) BRD4PAX8KMT2AMEN1NPSR1
SCHEMBL29004748 0.81 HTR3E (0.51) BRD4PAX8RIPK1KMT2ANPSR1
SCHEMBL30455057 0.81 HTR3E (0.51) BRD4PAX8RIPK1KMT2ANPSR1
SCHEMBL27450194 0.81 BRD4 (0.51) BRD4PAX8KMT2AMEN1NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116635029-A REV-ERB agonists 圣路易斯大学 2023-08-22 CN disclosed
CN-115362003-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2022-11-18 CN disclosed