SCHEMBL396887

SCHEMBL396887

C=C(Cc1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.62
PTGES O14684 1/20 0.53
IL1RN P18510 1/20 0.50
KEAP1 Q14145 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
IKBKB O14920 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 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

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
SCHEMBL396990 0.92 HTR6 (0.59) HTR6IL1RNKEAP1ERAP1HDAC1
SCHEMBL396993 0.90 ALDH1A1 (0.58) HTR6HDAC1HDAC8IKBKBGAA
SCHEMBL393833 0.85 AKR1C3 (0.61) HTR6HDAC1HDAC8GAAALDH1A1
SCHEMBL396740 0.85 HDAC1 (0.59) HTR6IL1RNKEAP1ERAP1HDAC1
SCHEMBL397676 0.85 HDAC1 (0.68) HTR6IL1RNKEAP1ERAP1HDAC1
SCHEMBL398666 0.83 ALDH1A1 (0.50) KEAP1ALDH1A1POLB
SCHEMBL28182428 0.83 HTR6 (0.65) HTR6PTGESIL1RNKEAP1ERAP1
SCHEMBL398544 0.82 ADRA2A (0.47) HTR6HPGDALDH1A1
SCHEMBL14425657 0.80 HTR6 (0.72) HTR6PTGESIL1RNKEAP1ERAP1
SCHEMBL27482732 0.80 HTR6 (0.72) HTR6PTGESIL1RNKEAP1ERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101332-B2 Negative-working lithographic printing plate precursor and method of lithographic printing using same FUJIFILM CORPORATION (JP) 2012-01-24 US disclosed
US-20090246688-A1 NEGATIVE-WORKING LITHOGRAPHIC PRINTING PLATE PRECURSOR AND METHOD OF LITHOGRAPHIC PRINTING USING SAME FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
EP-2105298-A1 Negative-working lithographic printing plate precursor and method of lithographic printing using same Fujifilm Corporation (JP) 2009-09-30 EP disclosed