SCHEMBL30201856

SCHEMBL30201856

COc1cc(Br)cc2cn[nH]c(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPK1 P28482 1/20 0.54
AXL P30530 1/20 0.46
NOS1 P29475 2/20 0.38
METAP2 P50579 2/20 0.38
CSNK2A1 P68400 1/20 0.38
PRNP P04156 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PIM1 P11309 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL26094704 1.00 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL25151359 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL23723648 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL23723651 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL30169603 0.77 NOS1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL14995475 0.77 AXL (0.51) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL25470649 0.77 NOS1 (0.42) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL28900790 0.74 KDM4E (0.33) ALDH1A1KDM4EHPGDHSD17B10MAPK1
SCHEMBL21593366 0.73 CHEK1 (0.48) PIM1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31082552 0.72 AXL (0.58) ALDH1A1KDM4EHPGDHSD17B10MAPK1

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
EP-4387609-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS ChemoCentryx, Inc. (US) 2024-06-26 EP disclosed
WO-2023023532-A2 ARYL SULFONYL (HYDROXY) PIPERIDINES AS CCR6 INHIBITORS CHEMOCENTRYX, INC. (US) 2023-02-23 WO disclosed