SCHEMBL28700663

SCHEMBL28700663

Nc1ccc(C(=O)Cl)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.52
▸ POLB P06746 3/20 0.52
▸ GLA P06280 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ CES2 O00748 2/20 0.46
▸ CRBN Q96SW2 1/20 0.45
▸ PTGS1 P23219 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PTPN1 P18031 1/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ AR P10275 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ CASP7 P55210 2/20 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
SCHEMBL29451106 0.85 ALDH1A1 (0.57) GAAPOLBGLATSHRCES2
SCHEMBL696299 0.85 ALDH1A1 (0.57) GAAPOLBGLATSHRCES2
SCHEMBL7182044 0.85 GAA (0.55) GAAPOLBGLATSHRCES2
SCHEMBL3782361 0.83 GAA (0.53) GAAPOLBGLATSHRCES2
SCHEMBL19461248 0.81 GAA (0.52) GAAPOLBGLATSHRCES2
Hydrochloric Acid SCHEMBL19461409 0.80 GAA (0.50) GAAPOLBGLATSHRCES2
SCHEMBL27194863 0.80 GAA (0.50) GAAPOLBGLATSHRCES2
SCHEMBL25387702 0.79 CES2 (0.47) TSHRCES2ALDH1A1HSD17B10KIF11
SCHEMBL937022 0.79 CES2 (0.72) GAACES2KDM4EALDH1A1CYP3A4
SCHEMBL110827 0.79 RAB9A (0.49) TSHRCES2KDM4EMAPTCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112110827-B Diamine, and preparation method and application thereof 安徽国风新材料股份有限公司 2023-04-07 — — CN claimed
CN-114231029-A Cross-linked high-transparency polyimide film and preparation method thereof 山东华夏神舟新材料有限公司 2022-03-25 — — CN claimed
CN-114231029-B Cross-linked high-transparency polyimide film and preparation method thereof 山东华夏神舟新材料有限公司 2023-08-22 — — CN disclosed
CN-114231029-A Cross-linked high-transparency polyimide film and preparation method thereof 山东华夏神舟新材料有限公司 2022-03-25 — — CN disclosed
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