SCHEMBL30423689

SCHEMBL30423689

O=C(NN1C(=O)c2ccccc2C1=O)c1ccccc1Br

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.69
▸ PTGS2 P35354 1/20 0.69
▸ MEN1 O00255 7/20 0.57
▸ KMT2A Q03164 7/20 0.57
▸ POLB P06746 2/20 0.57
▸ LMNA P02545 2/20 0.54
▸ KDM4E B2RXH2 3/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CYP2C19 P33261 1/20 0.45

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
SCHEMBL25213185 1.00 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL30422735 0.82 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL25213093 0.82 PTGS1 (0.55) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL577155 0.81 PTGS1 (1.00) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL25210744 0.80 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL25246486 0.80 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2ALMNA
SCHEMBL30423638 0.80 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL25213584 0.80 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL30423672 0.80 PTGS1 (0.69) PTGS1PTGS2MEN1KMT2APOLB
SCHEMBL25219866 0.78 LMNA (0.69) PTGS1PTGS2MEN1KMT2APOLB

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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