SCHEMBL29067608

SCHEMBL29067608

CCCCCC([CH]C(CC)Nc1ccccc1)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH3 Q9ULD8 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC8 Q9BY41 7/20 0.37
▸ HDAC3 O15379 5/20 0.37
▸ HDAC6 Q9UBN7 5/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC2 Q92769 4/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ HDAC4 P56524 2/20 0.36
▸ HDAC7 Q8WUI4 2/20 0.36
▸ HDAC10 Q969S8 2/20 0.36
▸ HDAC11 Q96DB2 2/20 0.36
▸ HDAC9 Q9UKV0 2/20 0.36
▸ HDAC5 Q9UQL6 2/20 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
SCHEMBL1453687 0.83 TDP1 (0.39) KCNH3ALDH1A1MEN1MAPTMAPK1
SCHEMBL11045235 0.80 TDP1 (0.42) KCNH3ALDH1A1MEN1MAPTMAPK1
SCHEMBL17186181 0.79 CSNK1E (0.40) KCNH3ALDH1A1HDAC8HDAC3HDAC6
SCHEMBL17186180 0.79 CSNK1E (0.40) KCNH3ALDH1A1HDAC8HDAC3HDAC6
SCHEMBL29745004 0.78 HDAC8 (0.43) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL30464709 0.78 HDAC8 (0.43) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL1454746 0.78 TDP1 (0.41) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL20655979 0.78 HDAC8 (0.43) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL11533028 0.78 HDAC8 (0.43) ALDH1A1MEN1MAPTMAPK1KMT2A
SCHEMBL27635962 0.78 HDAC8 (0.43) ALDH1A1MEN1MAPTMAPK1KMT2A

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
CN-116731663-A Polyimide adhesive for packaging power semiconductor and preparation method thereof 株洲时代新材料科技股份有限公司 2023-09-12 — — CN disclosed
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