SCHEMBL25870788

SCHEMBL25870788

N#Cc1cccc(N(c2ccc(C=C3C(=O)c4ccccc4C3=O)[se]2)c2cccc3ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
STK10 O94804 1/20 0.34
SLK Q9H2G2 1/20 0.34
CYP19A1 P11511 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
MEN1 O00255 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
MAOB P27338 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 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 0.95 CA1 (0.34) CA1CA2STK10SLKCYP19A1
SCHEMBL25870789 0.90 CA1 (0.33) CA1CA2CYP19A1PER2CRY1
SCHEMBL25870794 0.88 PER2 (0.34) PER2CRY1CRY2MEN1PKM
SCHEMBL17765829 0.87 PTPN1 (0.35) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL29993362 0.87 PTPN1 (0.35) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL25870819 0.86 CA1 (0.34) CA1CA2CYP19A1
SCHEMBL25870810 0.86 MAOB (0.32) CA1CA2CYP19A1PER2CRY1
SCHEMBL25870826 0.86 PER2 (0.31) PER2CRY1CRY2
SCHEMBL25870777 0.85 PTPN1 (0.32) PER2CRY1CRY2PKMKMT2A
SCHEMBL25870779 0.84 PTPN1 (0.38) 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