SCHEMBL28297716

SCHEMBL28297716

Cc1cc(N)ccc1C(F)(F)C(F)(c1ccc(N)cc1C)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.43
▸ PDE10A Q9Y233 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CASP1 P29466 3/20 0.38
▸ CYP3A4 P08684 2/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KIF11 P52732 2/20 0.33
▸ AR P10275 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NR4A1 P22736 1/20 0.33

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
SCHEMBL5351652 0.90 ALDH1A1 (0.48) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL9198448 0.86 ALDH1A1 (0.48) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL2994229 0.79 ALDH1A1 (0.48) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL29938143 0.79 ALDH1A1 (0.48) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL30750882 0.78 TSHR (0.56) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL2059016 0.78 TSHR (0.56) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL25908466 0.76 ALDH1A1 (0.50) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL7099525 0.76 SMN1; SMN2 (0.53) ALDH1A1PDE10ATSHRGAAGLA
SCHEMBL28263741 0.76 GAA (0.53) ALDH1A1TSHRGAAGLAPOLB
SCHEMBL28297714 0.76 ALDH1A1 (0.45) ALDH1A1PDE10ATSHRGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109843534-A The manufacturing method of optical film 柯尼卡美能达株式会社 2019-06-04 — — CN disclosed
CN-109843533-A The manufacturing method of optical film 柯尼卡美能达株式会社 2019-06-04 — — CN disclosed
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