SCHEMBL25870810

SCHEMBL25870810

N#Cc1cccc(N(c2cccc(C#N)c2)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
KCNN4 O15554 1/20 0.31
KCNA5 P22460 1/20 0.31
PER2 O15055 1/20 0.31
CRY1 Q16526 1/20 0.31
CRY2 Q49AN0 1/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CYP19A1 P11511 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 1/20 0.30
MGLL Q99685 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
SCHEMBL25870820 0.91 CA1 (0.34) PER2CRY1CRY2CA1CA2
SCHEMBL25870826 0.87 PER2 (0.31) PER2CRY1CRY2
SCHEMBL25870788 0.86 CA1 (0.34) MAOBPER2CRY1CRY2CA1
SCHEMBL25870819 0.82 CA1 (0.34) CA1CA2CYP19A1
SCHEMBL25870811 0.81 CA1 (0.31) CA1CA2
SCHEMBL25870794 0.80 PER2 (0.34) MAOBPER2CRY1CRY2MEN1
SCHEMBL25870782 0.78 MAPT (0.36) MAOBMEN1PKMKMT2A
SCHEMBL17765710 0.77 SIGMAR1 (0.31)
SCHEMBL25870827 0.77 CA1 (0.30) CA1CA2
SCHEMBL18913110 0.76 KMT2A (0.37) MAOBKCNN4KCNA5PER2CRY1

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