SCHEMBL20840201

SCHEMBL20840201

OC[C@@H](Br)c1cccc(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
SLC6A2 P23975 4/20 0.40
SLC6A4 P31645 4/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A3 Q01959 3/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
CTSA P10619 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
C1S P09871 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL27917252 0.81 IDO1 (0.43) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL7605334 0.81 IDO1 (0.47) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL28795687 0.81 IDO1 (0.43) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL5858340 0.81 IDO1 (0.43) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL16962177 0.79 IDO1 (0.46) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL8130729 0.79 ACP3 (0.44) IDO1TDO2SLC6A2SLC6A4
SCHEMBL8257633 0.79 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL7786059 0.79 ACP3 (0.44) IDO1TDO2SLC6A2SLC6A4
SCHEMBL17660051 0.79 SLC18A3 (0.44) IDO1TDO2SLC6A2SLC6A4CYP3A4
SCHEMBL8779761 0.79 ACP3 (0.44) IDO1TDO2SLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3731869-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-11-04 EP disclosed
EP-3684366-A1 CRBN LIGANDS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2020-07-29 EP disclosed
WO-2019060693-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2019-03-28 WO disclosed