SCHEMBL29214847

SCHEMBL29214847

O=C(CCCCCCN1C(=O)S/C(=C\c2cccnc2)C1=O)NO

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.66
▸ SMN1; SMN2 Q16637 7/20 0.66
▸ ALDH1A1 P00352 7/20 0.66
▸ HTT P42858 4/20 0.66
▸ PSMD14 O00487 1/20 0.66
▸ MMP2 P08253 1/20 0.66
▸ RAD52 P43351 1/20 0.66
▸ KMT2A Q03164 4/20 0.55
▸ HCRTR1 O43613 1/20 0.55
▸ LMNA P02545 5/20 0.54
▸ POLB P06746 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ PAX8 Q06710 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ PKM P14618 4/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MITF O75030 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL30869236 1.00 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1HTTPSMD14
SCHEMBL29214853 1.00 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1HTTPSMD14
SCHEMBL29214805 0.89 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1HTTPSMD14
SCHEMBL30869250 0.89 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1HTTPSMD14
SCHEMBL29214809 0.89 MAPT (0.72) MAPTSMN1; SMN2ALDH1A1HTTPSMD14
SCHEMBL29214732 0.87 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1MMP2KMT2A
SCHEMBL29214736 0.87 ALDH1A1 (0.64) MAPTSMN1; SMN2ALDH1A1MMP2KMT2A
SCHEMBL29214749 0.81 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1MMP2KMT2APOLB
SCHEMBL14560452 0.80 MAPT (0.66) MAPTSMN1; SMN2ALDH1A1HTTPSMD14
SCHEMBL29214969 0.79 HDAC1 (0.67) MAPTSMN1; SMN2ALDH1A1HTTKMT2A

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-117777049-B Thiazolidinedione HDAC inhibitor, preparation method and application 南京市鸿舜医药科技有限公司 2024-05-31 — — CN claimed
CN-117777049-A Thiazolidinedione HDAC inhibitor, preparation method and application 南京市鸿舜医药科技有限公司 2024-03-29 — — CN claimed
CN-117777049-B Thiazolidinedione HDAC inhibitor, preparation method and application 南京市鸿舜医药科技有限公司 2024-05-31 — — CN disclosed
CN-117777049-A Thiazolidinedione HDAC inhibitor, preparation method and application 南京市鸿舜医药科技有限公司 2024-03-29 — — CN disclosed
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