SCHEMBL29584774

SCHEMBL29584774

COc1cc(-c2cc(C(=O)N3CCC(C(N)=O)CC34CC4)n[nH]2)ncn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KDM5A P29375 4/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ PDK1 Q15118 1/20 0.30
▸ PDK2 Q15119 1/20 0.30
▸ PDK3 Q15120 1/20 0.30
▸ PDK4 Q16654 1/20 0.30
▸ FGFR1 P11362 1/20 0.30
▸ NEK2 P51955 1/20 0.30

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
SCHEMBL25090753 1.00 KDM4E (0.33) KDM4EALDH1A1HSD17B10LRRK2TBK1
SCHEMBL24424274 0.92 LRRK2 (0.37) LRRK2TBK1KDM5APDK1PDK2
SCHEMBL29584713 0.92 LRRK2 (0.37) LRRK2TBK1KDM5APDK1PDK2
SCHEMBL29584692 0.91 TBK1 (0.33) KDM4EHSD17B10LRRK2TBK1KDM5A
SCHEMBL24423144 0.91 TBK1 (0.33) KDM4EHSD17B10LRRK2TBK1KDM5A
SCHEMBL24424439 0.88 KDM5A (0.32) ALDH1A1HSD17B10LRRK2KDM5A
SCHEMBL29585253 0.88 KDM5A (0.32) ALDH1A1HSD17B10LRRK2KDM5A
SCHEMBL24424249 0.86 KDM5A (0.32) KDM5APDK1PDK2PDK3PDK4
SCHEMBL25090732 0.84 KDM5A (0.34) ALDH1A1HSD17B10KDM5AHPGD
SCHEMBL24424040 0.83 FFAR4 (0.37) TBK1

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
EP-4240736-A1 PPAR GAMMA MODULATORS AND METHODS OF USE Eisai R&D Management Co., Ltd. (JP) 2023-09-13 — — EP disclosed
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 — — WO disclosed
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