SCHEMBL31128494

SCHEMBL31128494

COc1ccc(C#N)c(-c2cc(CCl)no2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ PTPN1 P18031 3/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CLK1 P49759 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RXFP1 Q9HBX9 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL31128596 0.87 NOTUM (0.41) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL31128495 0.78 MAPT (0.33) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL31128602 0.77 AR (0.44) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL31128547 0.75 THRB (0.49) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL31128570 0.73 DCTPP1 (0.37) KDM4EALDH1A1HSD17B10HPGDMEN1
SCHEMBL31128590 0.73 RXFP1 (0.41) KDM4ETDP1MAPTLMNARXFP1
SCHEMBL31128534 0.71 S1PR1 (0.38) KDM4EALDH1A1HSD17B10HPGDTDP1
SCHEMBL10373598 0.69 — —
SCHEMBL7095254 0.68 PGR (0.55) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL29662946 0.68 PGR (0.55) KDM4EALDH1A1HPGDMEN1KMT2A

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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