SCHEMBL25870794

SCHEMBL25870794

Cc1ccc(N(c2cccc(C#N)c2)c2ccc(C=C3C(=O)c4ccccc4C3=O)[se]2)c2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
PABPC1 P11940 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MAOB P27338 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
SCHEMBL25870826 0.94 PER2 (0.31) PER2CRY1CRY2
SCHEMBL25870791 0.90 MEN1 (0.33) PER2CRY1CRY2MEN1PKM
SCHEMBL25870788 0.88 CA1 (0.34) PER2CRY1CRY2MEN1PKM
SCHEMBL25870827 0.85 CA1 (0.30)
SCHEMBL25870820 0.83 CA1 (0.34) PER2CRY1CRY2
SCHEMBL17765824 0.83 CES1 (0.34) MEN1PKMKMT2AKDM4EMAPT
SCHEMBL17765731 0.81
SCHEMBL17765787 0.80
SCHEMBL18913165 0.80 KMT2A (0.41) PER2CRY1CRY2MEN1PKM
SCHEMBL25870810 0.80 MAOB (0.32) PER2CRY1CRY2MEN1PKM

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