SCHEMBL25215960

SCHEMBL25215960

C[S+]([O-])c1ccccc1C(=O)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.60
▸ PTGS2 P35354 1/20 0.60
▸ LMNA P02545 3/20 0.48
▸ MEN1 O00255 6/20 0.47
▸ KMT2A Q03164 6/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ CYP2C19 P33261 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL25246486 0.77 PTGS1 (0.69) PTGS1PTGS2LMNAMEN1KMT2A
Dimethyl Sulfoxide SCHEMBL11527004 0.77 ALDH1A1 (0.51) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL577155 0.75 PTGS1 (1.00) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL30423689 0.74 PTGS1 (0.69) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL25210744 0.74 PTGS1 (0.69) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL30423672 0.74 PTGS1 (0.69) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL25213584 0.74 PTGS1 (0.69) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL25213185 0.74 PTGS1 (0.69) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL30423638 0.74 PTGS1 (0.69) PTGS1PTGS2LMNAMEN1KMT2A
SCHEMBL25211727 0.74 PTGS1 (0.63) PTGS1PTGS2LMNAMEN1KMT2A

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
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 — — WO disclosed
WO-2023097386-A1 SELECTIVE HDAC6-INHIBITING N-ACYLHYDRAZONE COMPOUNDS, METHODS FOR PRODUCING SAME, COMPOSITIONS, USES, TREATMENT METHODS AND KITS EUROFARMA LABORATÓRIOS S.A (BR) 2023-06-08 — — WO disclosed
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