SCHEMBL23197838

SCHEMBL23197838

COc1c(C)c(C(=O)CBr)nc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
HPGDS O60760 1/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 1/20 0.40
PDE10A Q9Y233 1/20 0.40
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
PTPN1 P18031 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL23197837 0.82 POLB (0.56) POLBMAPTKDM4EGLAMEN1
SCHEMBL8569894 0.79 POLB (0.51) POLBMAPTKDM4EGLAMEN1
SCHEMBL23535319 0.75 HPGDS (0.49) POLBHPGDSMAPTKDM4EMEN1
SCHEMBL23204088 0.74 GSK3B (0.36) HPGDSMAPTMEN1KMT2A
SCHEMBL753481 0.73 POLB (0.51) POLBMAPTKDM4EGLAMEN1
SCHEMBL14734375 0.72 MAPT (0.47) MAPTKDM4EHTTPDE10APTPN1
SCHEMBL23197722 0.72 POLB (0.63) POLBMAPTKDM4EGLAMEN1
SCHEMBL23999688 0.72 POLB (0.68) POLBMAPTKDM4EGLAMEN1
SCHEMBL752046 0.71 POLB (0.53) POLBMAPTKDM4EALOX15GAA
SCHEMBL4272933 0.71 POLB (0.66) POLBMAPTKDM4EGLAKMT2A

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
WO-2021063915-A1 ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 WO disclosed
WO-2021063914-A1 4-QUINOLINONE ANTIBACTERIAL COMPOUNDS Janssen Sciences Ireland Unlimited Company (IE) 2021-04-08 WO disclosed