SCHEMBL23905532

SCHEMBL23905532

Cc1cnc2c(O)cc(Br)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
CCR1 P32246 2/20 0.48
CCR5 P51681 2/20 0.48
CCR8 P51685 2/20 0.48
PRNP P04156 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
NOD2 Q9HC29 1/20 0.47
PSMD14 O00487 1/20 0.40
COPS5 Q92905 1/20 0.40
NSD1 Q96L73 1/20 0.39
PARP1 P09874 1/20 0.38
CYP1A2 P05177 1/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NQO2 P16083 1/20 0.32
NOS3 P29474 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
SCHEMBL23928044 0.84 KDM4E (0.63) KDM4ECCR1CCR5CCR8PRNP
SCHEMBL28643220 0.82 KDM4E (0.61) KDM4ECCR1CCR5CCR8PRNP
SCHEMBL20176008 0.78 LMNA (0.40) KDM4EPRNPNPSR1LMNAHPGD
SCHEMBL30748621 0.78 CCR1 (0.48) KDM4ECCR1CCR5CCR8PRNP
SCHEMBL28453161 0.78 HTT (0.40) KDM4EPRNPNPSR1LMNAHPGD
SCHEMBL23905909 0.75 ALDH1A1 (0.50) KDM4ECCR1CCR5CCR8PRNP
SCHEMBL12725651 0.74 PRNP (0.43) KDM4EPRNPNPSR1LMNAHPGD
SCHEMBL23195914 0.74 KDM4E (0.51) KDM4ECCR1CCR5CCR8LMNA
SCHEMBL31654043 0.74 PSMD14 (0.45) KDM4EPRNPNPSR1LMNAHPGD
SCHEMBL1787225 0.72 KDM4E (1.00) KDM4ECCR1CCR5CCR8PSMD14

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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed