SCHEMBL29902966

SCHEMBL29902966

Cc1ccc(NC(=O)CCC(=O)O)c(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.55
▸ GAA P10253 2/20 0.55
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MEN1 O00255 5/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HDAC3 O15379 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50
▸ HDAC11 Q96DB2 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ HDAC9 Q9UKV0 1/20 0.50
▸ HDAC5 Q9UQL6 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ TP53 P04637 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
SCHEMBL20339628 1.00 KMT2A (0.55) KMT2AGAALMNAL3MBTL1MEN1
SCHEMBL29902900 0.90 GAA (0.58) KMT2AGAALMNAL3MBTL1MEN1
SCHEMBL20339451 0.90 GAA (0.58) KMT2AGAALMNAL3MBTL1MEN1
SCHEMBL20339581 0.82 MAPK1 (0.51) KMT2AL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL29903006 0.82 MAPK1 (0.51) KMT2AL3MBTL1ALDH1A1KDM4ETP53
SCHEMBL13010627 0.81 KMT2A (0.72) KMT2AGAALMNAL3MBTL1MEN1
SCHEMBL15575684 0.80 L3MBTL1 (0.57) KMT2ALMNAL3MBTL1ALDH1A1MAPT
SCHEMBL29902911 0.80 L3MBTL1 (0.57) KMT2ALMNAL3MBTL1ALDH1A1MAPT
SCHEMBL14292042 0.78 HDAC3 (0.68) KMT2AGAALMNAMEN1HDAC3
SCHEMBL4361320 0.78 PTPN1 (0.49) KMT2AGAALMNAL3MBTL1MEN1

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
CN-110167926-B Poly-ADP ribose polymerase (PARP) inhibitors 米托布里奇公司 2022-09-13 — — CN disclosed
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