SCHEMBL28019454

SCHEMBL28019454

O=COCC(=O)c1cncc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ HCAR2 Q8TDS4 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ HTT P42858 3/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL27623883 0.78 POLB (0.56) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL5094634 0.77 KDM4E (0.67) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL6564351 0.75 POLB (0.62) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL29419378 0.75 POLB (0.62) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL29433500 0.75 POLB (0.62) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL6118965 0.75 POLB (0.62) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL12647390 0.75 MEN1 (0.51) POLBL3MBTL1KDM4EGAAMAPT
SCHEMBL1054521 0.75 POLB (0.53) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL29569200 0.75 POLB (0.56) POLBHCAR2L3MBTL1KDM4EHTT
SCHEMBL27682219 0.75 POLB (0.56) POLBHCAR2L3MBTL1KDM4EHTT

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-105073744-B Novel heterocyclic compounds as bromine structural domain inhibitor ZENITH EPIGENETICS CORP. (CA) 2019-11-08 — — CN disclosed
CN-105073744-A Novel heterocyclic compounds as bromodomain inhibitors RVX THERAPEUTICS INC 2015-11-18 — — CN disclosed
Send feedback