SCHEMBL27320911

SCHEMBL27320911

COc1ccc2c(c1)C(c1ccc(N3CCN(C(C)C)CC3)cc1)=C(c1ccccc1O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
ESR1 P03372 3/20 0.38
TGFBR1 P36897 2/20 0.38
ACVR1 Q04771 2/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
KCNH2 Q12809 1/20 0.38
EBP Q15125 1/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL27320751 0.93 ESR1 (0.47) FYNKMT2AMEN1MAPTKDM4E
SCHEMBL27321648 0.88 KDM4E (0.48) FYNKMT2AMEN1MAPTKDM4E
SCHEMBL27320920 0.87 KDM4E (0.50) FYNKMT2AMEN1MAPTKDM4E
SCHEMBL27320904 0.86 FYN (0.44) FYNKMT2AMEN1MAPTKDM4E
SCHEMBL27321649 0.83 ESR1 (0.50) FYNKMT2AMEN1MAPTKDM4E
SCHEMBL27322490 0.83 TGFBR1 (0.38) FYNKMT2AMEN1MAPTKDM4E
SCHEMBL27321301 0.82 KDM4E (0.48) FYNKMT2AMEN1MAPTKDM4E
SCHEMBL27322199 0.82 GFER (0.43) KMT2AMEN1KDM4EALDH1A1SIGMAR1
SCHEMBL27321028 0.82 DRD2 (0.46) FYNKMT2AMAPTALDH1A1SIGMAR1
SCHEMBL27321040 0.82 MAPK14 (0.39) FYNKMT2AMAPTKDM4EALDH1A1

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
WO-2024112123-A1 NOVEL COMPOUND AS SELECTIVE ESTROGEN RECEPTOR MODULATOR 재단법인 대구경북첨단의료산업진흥재단 2024-05-30 WO disclosed