SCHEMBL29464084

SCHEMBL29464084

Nc1cc(C(c2ccc(S)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1S

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ PKM P14618 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ PTPN5 P54829 2/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ MAPT P10636 4/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ GFER P55789 1/20 0.37
▸ CFTR P13569 1/20 0.36
▸ KIF11 P52732 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL295863 1.00 ESR1 (0.41) ESR1ESR2ALDH1A1KDM4EPKM
SCHEMBL8510672 0.92 ESR1 (0.36) ESR1ESR2ALDH1A1KDM4EPKM
SCHEMBL657504 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL29697575 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL718187 0.85 ESR1 (0.40) ESR1ESR2ALDH1A1KDM4EPKM
SCHEMBL16593687 0.85 ALDH1A1 (0.39) ESR1ESR2ALDH1A1KDM4EPKM
Hydrochloric Acid SCHEMBL29892011 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
SCHEMBL6759328 0.84 ALDH1A1 (0.41) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL444567 0.84 ALDH1A1 (0.50) ALDH1A1KDM4EPKMHPGDHSD17B10
Hydrochloric Acid SCHEMBL23411125 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EPKMHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118192168-A Photosensitive resin composition 日产化学株式会社 2024-06-14 — — CN disclosed
CN-110573963-B Photosensitive resin composition 日产化学株式会社 2023-10-24 — — CN disclosed
WO-2022114012-A1 FLUOROPOLYMER, AQUEOUS LIQUID DISPERSION, COMPOSITION, AND CROSSLINKED PRODUCT ダイキン工業株式会社 2022-06-02 — — WO disclosed
WO-2022107890-A1 METHOD FOR MANUFACTURING PERFLUOROELASTOMER AQUEOUS DISPERSION, COMPOSITION, CROSSLINKABLE COMPOSITION, AND CROSSLINKED PRODUCT ダイキン工業株式会社 2022-05-27 — — WO disclosed
CN-114245881-A Photosensitive resin composition 日产化学株式会社 2022-03-25 — — CN disclosed
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