SCHEMBL25870789

SCHEMBL25870789

N#Cc1ccc(N(c2ccc(C=C3C(=O)c4ccccc4C3=O)[se]2)c2cccc3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
IDO1 P14902 2/20 0.32
CYP19A1 P11511 1/20 0.32
FABP1 P07148 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
PTPN1 P18031 1/20 0.30
MYB P10242 1/20 0.30
PKM P14618 1/20 0.30
TDO2 P48775 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
SCHEMBL25870819 0.94 CA1 (0.34) CA1CA2CYP19A1
SCHEMBL25870788 0.90 CA1 (0.34) CA1CA2CYP19A1MEN1KMT2A
SCHEMBL29993362 0.88 PTPN1 (0.35) MEN1KMT2AMAPTPTPN1
SCHEMBL17765829 0.88 PTPN1 (0.35) MEN1KMT2AMAPTPTPN1
SCHEMBL25870791 0.86 MEN1 (0.33) MEN1KMT2AMAPTPER2CRY1
SCHEMBL25870779 0.86 PTPN1 (0.38) MEN1KMT2AMAPTPER2CRY1
SCHEMBL25870820 0.85 CA1 (0.34) CA1CA2CYP19A1PER2CRY1
SCHEMBL25870777 0.85 PTPN1 (0.32) KMT2AMAPTPER2CRY1CRY2
SCHEMBL25870827 0.83 CA1 (0.30) CA1CA2
SCHEMBL17765710 0.82 SIGMAR1 (0.31)

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