SCHEMBL28538533

SCHEMBL28538533

Cn1c(CCCCCC(=O)O)nc2cc(N(CCO)CCO)ccc21

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.75
HDAC1 Q13547 4/20 0.75
HDAC3 O15379 2/20 0.75
HDAC4 P56524 2/20 0.75
HDAC2 Q92769 2/20 0.75
HDAC8 Q9BY41 2/20 0.75
HDAC5 Q9UQL6 2/20 0.75
PTGS1 P23219 1/20 0.75
HDAC10 Q969S8 1/20 0.75
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 1/20 0.47
PKM P14618 1/20 0.47
F2 P00734 9/20 0.41
MAPT P10636 1/20 0.39

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
SCHEMBL229039 0.96 HDAC6 (0.82) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL29988092 0.96 HDAC6 (0.82) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL12102424 0.91 HDAC6 (0.71) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL30714411 0.91 HDAC6 (0.92) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL226988 0.91 HDAC6 (0.92) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL28548077 0.90 HDAC6 (0.92) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL14816587 0.90 HDAC6 (0.92) HDAC6HDAC1HDAC3HDAC4HDAC2
Hydrochloric Acid SCHEMBL2783279 0.90 HDAC6 (0.90) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL16772708 0.89 HDAC6 (0.94) HDAC6HDAC1HDAC3HDAC4HDAC2
SCHEMBL15396385 0.88 HDAC6 (0.70) HDAC6HDAC1HDAC3HDAC4HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112624980-B Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2022-10-04 CN claimed
CN-112624980-A Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2021-04-09 CN claimed
CN-112624980-B Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2022-10-04 CN disclosed
CN-112624980-A Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2021-04-09 CN disclosed