SCHEMBL28898549

SCHEMBL28898549

O=S1(=O)N=C(/C=C/c2ccccc2Br)c2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.37
ALPI P09923 1/20 0.35
PDGFRB P09619 1/20 0.34
FGFR1 P11362 1/20 0.34
FGFR3 P22607 1/20 0.34
METAP2 P50579 1/20 0.33
KMT2A Q03164 3/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 2/20 0.32
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32
IDO1 P14902 1/20 0.32
BCHE P06276 1/20 0.31
LY96 Q9Y6Y9 1/20 0.31

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
SCHEMBL30025407 1.00 HSD11B1 (0.37) HSD11B1ALPIPDGFRBFGFR1FGFR3
SCHEMBL28898552 1.00 HSD11B1 (0.37) HSD11B1ALPIPDGFRBFGFR1FGFR3
SCHEMBL28898553 0.83 MAPT (0.38) METAP2KMT2AMEN1NPC1HSP90AA1
SCHEMBL28898577 0.83 NR1H2 (0.40) ALPIKMT2AMEN1CA12CA9
SCHEMBL28898556 0.83 MAPT (0.38) METAP2KMT2AMEN1NPC1HSP90AA1
SCHEMBL30025843 0.83 MAPT (0.38) METAP2KMT2AMEN1NPC1HSP90AA1
SCHEMBL30024906 0.83 NR1H2 (0.40) ALPIKMT2AMEN1CA12CA9
SCHEMBL28898584 0.83 NR1H2 (0.40) ALPIKMT2AMEN1CA12CA9
SCHEMBL28960027 0.80 STK17B (0.37) KMT2AMEN1NPC1RAB9A
SCHEMBL30026278 0.80 STK17B (0.37) KMT2AMEN1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109336845-B Optically active cyclopentane-3-imine and its derivative and preparation method 西华师范大学 2022-11-01 CN claimed
CN-109336845-B Optically active cyclopentane-3-imine and its derivative and preparation method 西华师范大学 2022-11-01 CN disclosed