SCHEMBL25524102

SCHEMBL25524102

CC(C)c1ncc(-c2cnc3c(F)c(F)ccc3c2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ KDM4E B2RXH2 6/20 0.41
▸ ABL1 P00519 1/20 0.34
▸ PARP1 P09874 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ GCGR P47871 1/20 0.33
▸ EGLN3 Q9H6Z9 2/20 0.32
▸ FTO Q9C0B1 2/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 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
SCHEMBL25521675 0.86 ABCG2 (0.42) ABCG2KDM4EABL1GRIN2BEGLN3
SCHEMBL25522207 0.84 ABCG2 (0.40) ABCG2KDM4EABL1GRIN2BEGLN3
SCHEMBL25522190 0.81 ABCG2 (0.36) ABCG2KDM4E
SCHEMBL25521795 0.78 KDM4E (0.48) KDM4E
SCHEMBL25523838 0.77 KDM4E (0.35) KDM4EPARP1
SCHEMBL25521932 0.76 KDM4E (0.49) KDM4EPARP1ESR1
SCHEMBL25523902 0.75 TNIK (0.45) GRIN2BGCGRESR2PDGFRBPDGFRA
SCHEMBL25522334 0.74 KDM4E (0.35) ABCG2KDM4EGRIN2BGCGREGLN3
SCHEMBL25526981 0.73 ABCG2 (0.45) ABCG2GRIN2B
SCHEMBL25524104 0.71 PDGFRB (0.51) KDM4EABL1PDGFRBPDGFRA

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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