SCHEMBL31128495

SCHEMBL31128495

COc1cc(-c2cc(CCl)no2)c(C#N)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 7/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ NPSR1 Q6W5P4 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ XDH P47989 1/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ S1PR1 P21453 2/20 0.31
▸ KDM1A O60341 2/20 0.31

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
SCHEMBL31128612 0.88 NOTUM (0.37) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31128562 0.79 S1PR1 (0.33) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31128534 0.79 S1PR1 (0.38) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31128494 0.78 KDM4E (0.39) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31128514 0.76 MAPT (0.41) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31128602 0.75 AR (0.44) MAPTALDH1A1KDM4EHSD17B10HPGD
SCHEMBL31128615 0.74 KDM4E (0.32) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31128539 0.73 PAX8 (0.46) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL31128519 0.73 PAX8 (0.46) MAPTALDH1A1KDM4EHSD17B10MEN1
SCHEMBL15646608 0.67 KDM4E (0.42) ALDH1A1KDM4ES1PR1IDH1

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-2024173343-A1 COMPOUNDS TARGETING HYDROXYSTEROID 17-BETA DEHYDROGENASE (HSD17B) AND USES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2024-08-22 — — WO disclosed
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