SCHEMBL25870777

SCHEMBL25870777

O=C1C(=Cc2ccc(N(c3ccc4ccccc4c3)c3cccc4ccccc34)[se]2)C(=O)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.32
DNMT1 P26358 1/20 0.32
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 1/20 0.30

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
SCHEMBL17765829 0.89 PTPN1 (0.35) PTPN1DNMT1MAPTKMT2A
SCHEMBL29993362 0.89 PTPN1 (0.35) PTPN1DNMT1MAPTKMT2A
SCHEMBL25870782 0.89 MAPT (0.36) USP2MAPTPKMKMT2A
SCHEMBL25870779 0.89 PTPN1 (0.38) PTPN1DNMT1MAPTPKMKMT2A
SCHEMBL17765710 0.87 SIGMAR1 (0.31)
SCHEMBL25870818 0.85 GPR183 (0.30)
SCHEMBL17765795 0.85 CYP1A1 (0.31) MAPT
SCHEMBL25870788 0.85 CA1 (0.34) MAPTPKMKMT2APER2CRY1
SCHEMBL17765809 0.85
SCHEMBL25870814 0.85

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
US-11711930-B2 2023-07-25 US disclosed