SCHEMBL27771054

SCHEMBL27771054

Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KIF11 P52732 1/20 0.38
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ MET P08581 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TDO2 P48775 2/20 0.32

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
Water SCHEMBL28272876 0.98 HSD17B10 (0.42) HSD17B10ALDH1A1KIF11MAOAMAOB
SCHEMBL7211572 0.85 ALDH1A1 (0.43) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
Water SCHEMBL28777074 0.85 HSD17B10 (0.43) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
SCHEMBL27724771 0.81 ALDH1A1 (0.41) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
SCHEMBL5845451 0.81 HSD17B10 (0.41) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
SCHEMBL27707899 0.81 ALDH1A1 (0.41) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
SCHEMBL21571496 0.79 HSD17B10 (0.42) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
SCHEMBL27877219 0.79 HSD17B10 (0.42) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
SCHEMBL3793637 0.78 ALDH1A1 (0.56) HSD17B10ALDH1A1KIF11KDM4EL3MBTL1
SCHEMBL3386031 0.78 POLB (0.41) HSD17B10ALDH1A1MAOAMAOBL3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101602856-A Polyimide resin of a kind of terminated with phenylacetylene anhydride naphthalene groups and preparation method thereof and purposes CHINESE ACAD INST CHEMISTRY (CN) 2009-12-16 — — CN claimed
CN-113260675-B Polyimide film having excellent yield strain and bending characteristics 株式会社斗山 2024-06-07 — — CN disclosed
CN-114854196-B Polyimide film 株式会社斗山 2024-05-28 — — CN disclosed
CN-115298248-B Polyimide film having moisture absorption resistance and water absorption resistance 株式会社斗山 2024-03-08 — — CN disclosed
CN-113227207-B Polyamic acid composition and transparent polyimide film using same 株式会社斗山 2023-12-12 — — CN disclosed
CN-111363149-A High-temperature-resistant high-strength polyimide resin and preparation method thereof 自贡中天胜新材料科技有限公司 2020-07-03 — — CN disclosed
CN-101602856-A Polyimide resin of a kind of terminated with phenylacetylene anhydride naphthalene groups and preparation method thereof and purposes CHINESE ACAD INST CHEMISTRY (CN) 2009-12-16 — — CN disclosed
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