SCHEMBL9411309

SCHEMBL9411309

O=C(Nc1ccc(C(CCC2CCN(C(=O)c3ccccc3)CC2)=NO)c(O)c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.48
▸ PKM P14618 1/20 0.48
▸ HDAC3 O15379 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ ACHE P22303 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LDLR P01130 1/20 0.41
▸ PTPN2 P17706 1/20 0.41
▸ PTPN1 P18031 1/20 0.41

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
Acetic Acid SCHEMBL9411311 0.97 KMT2A (0.46) KMT2APKMHDAC3HDAC4HDAC1
SCHEMBL9411461 0.92 KMT2A (0.47) KMT2APKMACHEKDM4EMAPT
Acetic Acid SCHEMBL9411399 0.91 KMT2A (0.47) KMT2APKMACHEKDM4EMAPT
SCHEMBL9411354 0.88 KMT2A (0.52) KMT2APKMHDAC3HDAC4HDAC1
SCHEMBL9411300 0.86 ACHE (0.45) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL9411541 0.84 RAB9A (0.45) KMT2APKMACHEKDM4EMAPT
Acetic Acid SCHEMBL9411605 0.83 RAB9A (0.44) KMT2APKMACHEKDM4EMAPT
SCHEMBL9411597 0.80 KMT2A (0.51) KMT2APKMACHEKDM4EMAPT
SCHEMBL9411390 0.79 RAB9A (0.42) KMT2APKMACHEKDM4EMAPT
SCHEMBL9411307 0.79 ACHE (0.45) KMT2AHDAC3HDAC4HDAC1HDAC7

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
EP-0602242-A1 BENZISOXAZOLE COMPOUND AND USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-06-22 — — EP disclosed
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