SCHEMBL29685533

SCHEMBL29685533

CONC(=O)c1cnccc1Nc1cccc(C2CC2)c1N(C)S(C)(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.35
▸ ACVR1B P36896 1/20 0.35
▸ PTGS1 P23219 4/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4C Q9H3R0 5/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ NUDT1 P36639 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS2 P35354 3/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ BRS3 P32247 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
SCHEMBL24497634 0.85 TYK2 (0.36) —
SCHEMBL29686638 0.85 TYK2 (0.36) —
SCHEMBL24497635 0.83 TYK2 (0.52) —
SCHEMBL29020396 0.82 TYK2 (0.33) —
SCHEMBL29685494 0.80 TYK2 (0.37) —
SCHEMBL29686407 0.80 KMT2A (0.46) PTGS1L3MBTL1PTGS2KMT2A
SCHEMBL26122192 0.80 JAK2 (0.34) TGFBR1ACVR1B
SCHEMBL29684789 0.80 JAK2 (0.34) TGFBR1ACVR1B
SCHEMBL24497575 0.79 JAK1 (0.41) —
SCHEMBL29740021 0.79 PTK2 (0.39) PTGS1L3MBTL1NUDT1LMNA

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-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 — — CN claimed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 — — WO claimed
CN-114901656-B Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-04-07 — — CN disclosed
CN-114901656-A Hydroximic acid ester compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-08-12 — — CN disclosed
WO-2022117016-A1 HYDROXAMATE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 深圳微芯生物科技股份有限公司 2022-06-09 — — WO disclosed
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