SCHEMBL23854048

SCHEMBL23854048

Brc1cccc2c1CCCC2Br

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GID4 Q8IVV7 1/20 0.44
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
KDM1A O60341 1/20 0.32
ADRA2A P08913 2/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL30340560 0.88 GID4 (0.46) GID4KDM4EALDH1A1DRD2DRD1
SCHEMBL21616753 0.88 GID4 (0.46) GID4KDM4EALDH1A1DRD2DRD1
SCHEMBL17193124 0.79 GID4 (0.42) GID4KDM1AADRA2A
SCHEMBL17192148 0.79 GID4 (0.42) GID4ALDH1A1DRD2DRD1DRD4
SCHEMBL17192147 0.79 GID4 (0.42) GID4ALDH1A1DRD2DRD1DRD4
SCHEMBL4206685 0.79 GID4 (0.42) GID4KDM4EALDH1A1DRD2DRD1
SCHEMBL13974016 0.79 KMT2A (0.44) GID4DRD2DRD1DRD4DRD5
SCHEMBL13616719 0.79 KMT2A (0.44) GID4DRD2DRD1DRD4DRD5
SCHEMBL12270073 0.79 GID4 (0.42) GID4ALDH1A1DRD2DRD1DRD4
SCHEMBL29983834 0.79 GID4 (0.42) GID4KDM1AADRA2A

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
EP-3883938-A1 INHIBITORS OF ARGINASE Praxis Biotech LLC (US) 2021-09-29 EP disclosed