SCHEMBL27034936

SCHEMBL27034936

COc1ccc(CNC2(C#N)CC(OCc3ccccc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 6/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ BCHE P06276 1/20 0.43
▸ NPC1 O15118 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ CTSK P43235 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ KCNA5 P22460 1/20 0.39

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
SCHEMBL22440133 0.81 GAA (0.43) NAAANPC1HTTKDM1AALDH1A1
SCHEMBL22440077 0.76 HTT (0.44) KMT2ANPC1HTTLMNAALDH1A1
SCHEMBL3055323 0.74 NAAA (0.50) NAAANPC1SMN1; SMN2RAB9A
SCHEMBL14734287 0.74 NAAA (0.52) NAAACTSKCTSLCTSB
SCHEMBL19601334 0.72 CTSL (0.51) NAAACTSKCTSLCTSB
SCHEMBL15883399 0.72 NAAA (0.50) NAAALMNAALDH1A1KCNA5
SCHEMBL19385904 0.71 CTSK (0.42) NAAACTSKCTSLCTSBSMN1; SMN2
SCHEMBL31604981 0.71 GAA (0.42) MEN1KMT2ANPC1HTTL3MBTL1
SCHEMBL19707675 0.71 CTSL (0.44) NAAABCHECTSKCTSLCTSB
SCHEMBL18819603 0.70 CTSL (0.51) NAAACTSKCTSLCTSBKDM1A

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-2024017178-A1 SUBSTITUTED HYDANTOIN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS AVITAR BIOSCIENCES, INC. (CN) 2024-01-25 — — WO disclosed
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