SCHEMBL27922409

SCHEMBL27922409

CCCCC(CC)CNc1nc(S)nc(S)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TSHR P16473 4/20 0.48
▸ CYP3A4 P08684 3/20 0.48
▸ TDP1 Q9NUW8 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ PFKFB3 Q16875 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ LMNA P02545 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ IGFBP3 P17936 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31

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
SCHEMBL7776211 0.88 ALDH1A1 (0.57) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL8050048 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL8051374 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL7776357 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL6926880 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL7774846 0.80 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL7174778 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL8051022 0.75 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL29716343 0.73 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4TDP1KDM4E
SCHEMBL11448618 0.73 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114868292-A Nonaqueous electrolyte solution and lithium secondary battery comprising the same 株式会社LG新能源 2022-08-05 — — CN claimed
CN-119698447-A Crosslinking agent for chlorinated butyl rubber 川口化学工业株式会社 2025-03-25 — — CN disclosed
CN-118185200-A Medical rubber product 住友橡胶工业株式会社 2024-06-14 — — CN disclosed
CN-117940518-A Active energy ray-curable primer, undercoat layer, laminate, and metal film-coated substrate 爱天思株式会社 2024-04-26 — — CN disclosed
CN-117917249-A Method for sterilizing medical rubber member 住友橡胶工业株式会社 2024-04-23 — — CN disclosed
CN-117043276-A Polysilsesquioxane composition and cured product 株式会社日本触媒 2023-11-10 — — CN disclosed
CN-116333427-A Medical rubber composition, medical rubber member, and medical rubber member package 住友橡胶工业株式会社 2023-06-27 — — CN disclosed
CN-116327991-A Method for sterilizing medical rubber member 住友橡胶工业株式会社 2023-06-27 — — CN disclosed
CN-114868292-A Nonaqueous electrolyte solution and lithium secondary battery comprising the same 株式会社LG新能源 2022-08-05 — — CN disclosed
CN-113462093-A Medical rubber composition, medical rubber member, and prefilled syringe 住友橡胶工业株式会社 2021-10-01 — — CN disclosed
CN-112898693-A Medical rubber composition and medical rubber member 住友橡胶工业株式会社 2021-06-04 — — CN disclosed
CN-103131094-A Thermoplastic elastomer composition and medical rubber product SUMITOMO RUBBER IND 2013-06-05 — — CN disclosed
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