SCHEMBL30978112

SCHEMBL30978112

CCCOc1c(Cl)cccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 2/20 0.40
▸ HPGD P15428 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ CSNK2A1 P68400 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SRC P12931 2/20 0.34
▸ SLC22A12 Q96S37 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL29844299 0.92 L3MBTL1 (0.41) L3MBTL1KDM4EGAAHPGDMAOB
SCHEMBL30602897 0.86 L3MBTL1 (0.48) L3MBTL1KDM4EGAAMAOBDYRK1A
SCHEMBL29579957 0.85 DYRK1A (0.37) L3MBTL1KDM4EGAAHPGDMAOB
SCHEMBL17826761 0.82 L3MBTL1 (0.56) L3MBTL1KDM4EGAAHPGDRAB9A
SCHEMBL23817494 0.81 TSHR (0.47) KDM4EKMT2ATSHRALDH1A1
SCHEMBL27659861 0.77 L3MBTL1 (0.44) L3MBTL1KDM4EGAAHPGDDYRK1A
SCHEMBL16800088 0.76 TLR4 (0.33) HPGDKMT2ATSHRALDH1A1
SCHEMBL3786544 0.75 L3MBTL1 (0.58) L3MBTL1KDM4EGAAHPGDRAB9A
SCHEMBL16572858 0.75 KDM4E (0.68) L3MBTL1KDM4EGAAHPGDRAB9A
SCHEMBL3786689 0.74 L3MBTL1 (0.45) L3MBTL1KDM4EGAAHPGDRAB9A

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
CN-118684633-A Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-09-24 — — CN disclosed
CN-113195441-B Androgen receptor modulators and methods of use thereof 埃萨制药股份有限公司 2024-07-12 — — CN disclosed
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