SCHEMBL25524009

SCHEMBL25524009

CC(C)c1ncc(-c2cccc3ccc(C(=O)O)nc23)cc1O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PIM1 P11309 1/20 0.43
▸ MMP2 P08253 4/20 0.40
▸ PDE4D Q08499 1/20 0.39
▸ FDPS P14324 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ CCNC P24863 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ FTO Q9C0B1 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35
▸ EGLN3 Q9H6Z9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL25523538 0.83 KDM4E (0.55) KDM4EKMT2APIM1MMP2FDPS
SCHEMBL25521794 0.77 KDM4E (0.39) KDM4EHSP90AA1RAB9A
SCHEMBL9907329 0.74 KDM4E (0.62) KDM4EKMT2APIM1MMP2CCNC
SCHEMBL29697210 0.72 KDM4E (1.00) KDM4EKMT2APIM1MMP2PDE4D
SCHEMBL171491 0.72 KDM4E (1.00) KDM4EKMT2APIM1MMP2PDE4D
SCHEMBL1724445 0.72 KDM4E (0.49) KDM4EKMT2AMMP2MEN1LMNA
SCHEMBL11121278 0.71 KDM4E (0.90) KDM4EKMT2APIM1MMP2PDE4D
SCHEMBL28949889 0.70 KDM4E (0.96) KDM4EKMT2APIM1MMP2PDE4D
SCHEMBL29932233 0.70 KDM4E (0.96) KDM4EKMT2APIM1MMP2PDE4D
SCHEMBL28228512 0.70 KDM4E (0.96) KDM4EKMT2APIM1MMP2PDE4D

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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