SCHEMBL25210751

SCHEMBL25210751

COc1ccccc1C(=O)NN1C(=O)c2ccccc2C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.63
▸ PTGS2 P35354 1/20 0.63
▸ GAA P10253 1/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ TDP1 Q9NUW8 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CTSD P07339 1/20 0.55
▸ STAT3 P40763 1/20 0.53
▸ RAB9A P51151 2/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ KCNK9 Q9NPC2 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ BLM P54132 1/20 0.49

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
SCHEMBL11713369 0.83 KMT2A (0.60) PTGS1PTGS2GAAKMT2ATDP1
SCHEMBL11817513 0.82 PTGS1 (0.67) PTGS1PTGS2GAAKMT2ATDP1
SCHEMBL25214021 0.81 PTGS1 (0.58) PTGS1PTGS2GAAKMT2ATDP1
SCHEMBL11713363 0.80 CYP3A4 (0.47) PTGS1PTGS2GAAKMT2ATDP1
SCHEMBL11808261 0.80 PTGS1 (0.69) PTGS1PTGS2GAAKMT2AALDH1A1
SCHEMBL25246486 0.80 PTGS1 (0.69) PTGS1PTGS2GAAKMT2ATDP1
SCHEMBL577155 0.78 PTGS1 (1.00) PTGS1PTGS2GAAKMT2AALDH1A1
SCHEMBL25213185 0.76 PTGS1 (0.69) PTGS1PTGS2KMT2AALDH1A1RAB9A
SCHEMBL30423672 0.76 PTGS1 (0.69) PTGS1PTGS2GAAKMT2ATDP1
SCHEMBL25210744 0.76 PTGS1 (0.69) PTGS1PTGS2KMT2AALDH1A1CYP3A4

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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