SCHEMBL30422735

SCHEMBL30422735

O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ MEN1 O00255 8/20 0.50
▸ KMT2A Q03164 8/20 0.50
▸ FLT1 P17948 2/20 0.50
▸ FLT4 P35916 2/20 0.50
▸ KDR P35968 2/20 0.50
▸ GPR27 Q9NS67 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ DRD2 P14416 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL25213093 1.00 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2AFLT1
SCHEMBL30423689 0.82 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL25213185 0.82 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL11806114 0.77 PTGS1 (0.74) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL25214387 0.76 LMNA (0.67) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL25210744 0.76 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL30423638 0.76 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL20359926 0.73 FLT1 (0.61) MEN1KMT2AFLT1FLT4KDR
SCHEMBL30423184 0.73 ALDH1A1 (0.43) MEN1KMT2AFLT1FLT4KDR
SCHEMBL25247871 0.73 ALDH1A1 (0.43) MEN1KMT2AFLT1FLT4KDR

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 1 patent. 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
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