SCHEMBL25520955

SCHEMBL25520955

CC(C)c1cc(F)c2cnc(N)cc2c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EIF4A3 P38919 1/20 0.36
▸ ALOX5AP P20292 10/20 0.35
▸ FEN1 P39748 9/20 0.35
▸ PDPK1 O15530 1/20 0.35
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ TLR9 Q9NR96 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ TLR7 Q9NYK1 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ MAP4K1 Q92918 2/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL25519672 0.75 P2RX3 (0.37) EIF4A3
SCHEMBL25522440 0.75 FEN1 (0.37) ALOX5APFEN1TLR9TLR8TLR7
SCHEMBL25522348 0.74 FEN1 (0.36) ALOX5APFEN1TLR9TLR8TLR7
SCHEMBL25105588 0.71 MAOA (0.39) EIF4A3MAPT
SCHEMBL20370830 0.70 PDPK1 (0.52) PDPK1NOS3NOS1NOS2PIK3CB
SCHEMBL24506588 0.70 PDPK1 (0.52) EIF4A3PDPK1NOS3NOS1NOS2
SCHEMBL25520954 0.70 TBK1 (0.40) EIF4A3NOS3NOS1MAPT
SCHEMBL24665786 0.69 ALOX5AP (0.44) ALOX5APFEN1PDPK1NOS3NOS1
SCHEMBL31286104 0.68 PDPK1 (0.53) ALOX5APFEN1PDPK1PIK3CBABL1
SCHEMBL29242069 0.68 PDPK1 (0.53) ALOX5APFEN1PDPK1PIK3CBABL1

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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