SCHEMBL7773642

SCHEMBL7773642

[NH]C(=O)CCCS(=O)(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.57
HDAC8 Q9BY41 2/20 0.57
HDAC2 Q92769 2/20 0.57
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC10 Q969S8 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
HSD11B1 P28845 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
KCNH2 Q12809 1/20 0.48
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 3/20 0.45
POLB P06746 2/20 0.45
HTT P42858 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
SCHEMBL7771538 0.95 HDAC1 (0.64) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL7773674 0.93 HDAC1 (0.67) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL7770886 0.93 HDAC1 (0.67) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL4854980 0.89 HSD11B1 (0.65) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL5128861 0.85 HDAC1 (0.60) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL2810870 0.83 HDAC1 (0.58) HDAC1HDAC8HDAC2HDAC3HDAC4
Hydrochloric Acid SCHEMBL5120938 0.83 HDAC1 (0.58) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL11474890 0.82 ALDH1A1 (0.67) KMT2ARAB9AMAPT
SCHEMBL1232793 0.81 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC3HDAC4
SCHEMBL6803062 0.81 HDAC1 (0.57) HDAC1HDAC8HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed
EP-0007623-B1 PROCESS FOR THE PREPARATION OF THERMOSTABLE N-ALKYL-ARYLSULPHONAMIDES AND THEIR USE AS PLASTICIZERS FOR POLYAMIDES BASF Aktiengesellschaft (DE) 1982-02-24 EP disclosed
EP-0007623-A1 Process for the preparation of thermostable N-alkyl-arylsulphonamides and their use as plasticizers for polyamides BASF Aktiengesellschaft (DE) 1980-02-06 EP disclosed