SCHEMBL9558798

SCHEMBL9558798

Cc1cccc(C)c1NC(=O)CCS(=O)(=O)c1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
RXFP1 Q9HBX9 1/20 0.54
ALDH1A1 P00352 3/20 0.48
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.47
GRK2 P25098 1/20 0.47
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL9558788 0.82 KMT2A (0.64) KMT2ARXFP1ALDH1A1MAPTMEN1
SCHEMBL9558728 0.80 KMT2A (0.61) KMT2ARXFP1ALDH1A1MAPTMEN1
SCHEMBL9559096 0.77 LMNA (0.51) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL9837989 0.76 HDAC3 (0.46) KMT2ARXFP1ALDH1A1MAPTMEN1
SCHEMBL9558402 0.75 MAPT (0.50) KMT2ARXFP1ALDH1A1MAPTMEN1
SCHEMBL7822207 0.68 HDAC3 (0.65) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL7701586 0.67 THRB (0.62) KMT2ARXFP1MAPTMEN1TP53
SCHEMBL10307779 0.67 ALDH1A1 (0.74) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL2760768 0.66 ALDH1A1 (0.51) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL9840092 0.66 TDP1 (0.50) KMT2AALDH1A1MAPTMEN1POLB

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-5225444-A Antiinflammatory agents or antiallergens G. D. SEARLE & CO. (US) 1993-07-06 US disclosed
US-5071876-A Antiinflammatory agent; antiallergen; skin disorders; asthma; enzyme inhibitors of 5-lipogenase G. D. SEARLE & CO. (US) 1991-12-10 US disclosed
EP-0190682-A2 Novel disubstituted 4-hydroxyphenylthio anilides G.D. Searle & Co. (US) 1986-08-13 EP disclosed