SCHEMBL25524778

SCHEMBL25524778

CC(C)c1ncc(C2Nc3ccccc3O2)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ IDO1 P14902 3/20 0.34
▸ METAP1 P53582 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ELANE P08246 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CTRB1 P17538 1/20 0.33

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
SCHEMBL25186768 0.71 TRPV1 (0.42) RXFP1BRD9MAPK1IDO1METAP1
SCHEMBL25186778 0.69 LCK (0.39) RXFP1BRD9IDO1METAP1BRD4
SCHEMBL25189635 0.69 AAK1 (0.37) RXFP1BRD9IDO1METAP1BRD4
SCHEMBL25186762 0.68 RAB9A (0.48) MAPK1MEN1KMT2AKDM4EHSD17B10
SCHEMBL30419303 0.68 RAB9A (0.48) MAPK1MEN1KMT2AKDM4EHSD17B10
SCHEMBL30297391 0.67 RORC (0.40) —
SCHEMBL2880191 0.65 LMNA (0.54) RXFP1BRD9METAP1BRD4MEN1
SCHEMBL2737224 0.65 NLRP3 (0.56) RXFP1IDO1KMT2A
SCHEMBL2940952 0.63 GAA (0.51) RXFP1BRD9MAPK1METAP1MEN1
SCHEMBL12139319 0.62 LMNA (0.46) RXFP1BRD9IDO1METAP1BRD4

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-2023086428-A2 NOVEL MODULATORS OF THE ARYL HYDROCARBON RECEPTOR AND METHODS OF USE THEREOF ALLIANTHERA (SUZHOU) BIOPHARMACEUTICAL CO., LTD. (CN) 2023-05-19 — — WO disclosed
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