SCHEMBL9094697

SCHEMBL9094697

N#CCc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.59
HDAC3 O15379 2/20 0.59
HDAC4 P56524 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC10 Q969S8 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL20946377 0.82 HTR6 (0.63) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL31279869 0.82 HDAC1 (0.66) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8932772 0.82 HDAC1 (0.66) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4094100 0.82 HTR6 (0.63) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19268814 0.82 HTR6 (0.66) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4504878 0.82 HTR6 (0.63) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3260344 0.81 HTR6 (0.65) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29744143 0.81 HTR6 (0.65) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL28794515 0.80 HDAC3 (0.67) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL13539228 0.80 HDAC3 (0.52) HTR6HDAC3HDAC4HDAC1HDAC7

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
EP-0571471-B1 5-HETEROYL INDOLE DERIVATIVES PFIZER (US) 1996-03-06 EP disclosed
US-5409941-A 5-heteroyl indole derivatives PFIZER INC. (US) 1995-04-25 US disclosed
EP-0571471-A1 5-HETEROYL INDOLE DERIVATIVES. PFIZER (US) 1993-12-01 EP disclosed
WO-1992013856-A1 5-HETEROYL INDOLE DERIVATIVES PFIZER INC. (US) 1992-08-20 WO disclosed