SCHEMBL30646451

SCHEMBL30646451

Brc1ccc(CN2CCCCC2)o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.61
ATM Q13315 1/20 0.55
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
HRH3 Q9Y5N1 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL10211526 1.00 GFER (0.61) GFERATMKDM4EGAAALDH1A1
SCHEMBL10211528 0.84 GFER (0.57) GFERATMALDH1A1MEN1KMT2A
SCHEMBL1472855 0.83 GFER (0.64) GFERATMALDH1A1MEN1KMT2A
SCHEMBL2283356 0.81 GFER (0.62) GFERATMKDM4EALDH1A1MEN1
SCHEMBL24160846 0.81 KDM4E (0.51) GFERKDM4EGAAALDH1A1HRH3
SCHEMBL14697458 0.77 KDM4E (0.51) GFERATMKDM4EGAAALDH1A1
SCHEMBL9840017 0.77 KDM4E (0.51) GFERATMKDM4EGAAALDH1A1
SCHEMBL13990823 0.77 KDM4E (0.51) GFERKDM4EGAAALDH1A1MEN1
SCHEMBL9840022 0.77 KDM4E (0.51) GFERATMKDM4EGAAALDH1A1
SCHEMBL7329753 0.77 KDM4E (0.55) KDM4EGAAALDH1A1MEN1KMT2A

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-2023202583-A1 FXR REGULATOR AND USE THEREOF 北京大学 2023-10-26 WO disclosed