SCHEMBL30004585

SCHEMBL30004585

OC1CCCCc2c(Br)cccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.41
KMT2A Q03164 2/20 0.40
UGT2B17 O75795 2/20 0.39
BRD3 Q15059 1/20 0.35
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
GRM5 P41594 3/20 0.33
MEN1 O00255 1/20 0.33
POLL Q9UGP5 1/20 0.33

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
SCHEMBL29325214 1.00 GID4 (0.41) GID4KMT2AUGT2B17BRD3DRD2
SCHEMBL7919900 1.00 GID4 (0.41) GID4KMT2AUGT2B17BRD3DRD2
SCHEMBL29325486 1.00 GID4 (0.41) GID4KMT2AUGT2B17BRD3DRD2
SCHEMBL13974016 0.95 KMT2A (0.44) GID4KMT2AUGT2B17BRD3DRD2
SCHEMBL17180996 0.95 KMT2A (0.44) GID4KMT2AUGT2B17BRD3DRD2
SCHEMBL13616719 0.95 KMT2A (0.44) GID4KMT2AUGT2B17BRD3DRD2
SCHEMBL29907033 0.87 GID4 (0.45) GID4KMT2ADRD2DRD1DRD4
SCHEMBL1868958 0.87 GID4 (0.45) GID4KMT2ADRD2DRD1DRD4
SCHEMBL1508638 0.87 GID4 (0.45) GID4KMT2ADRD2DRD1DRD4
SCHEMBL29625410 0.87 GID4 (0.45) GID4KMT2ADRD2DRD1DRD4

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-2022218311-A1 MODULATORS OF BCL-2 OR BCL-2/BCL-XL AND USES THEREOF APPICINE THERAPEUTICS (HK) LIMITED (CN) 2022-10-20 WO disclosed