SCHEMBL4774366

SCHEMBL4774366

NC(=O)CCc1ccccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.50
SLC16A3 O15427 3/20 0.49
KMT2A Q03164 3/20 0.47
TSHR P16473 2/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC40A1 Q9NP59 1/20 0.45
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
METAP2 P50579 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 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
SCHEMBL8578276 0.88 SLC16A3 (0.47) PRMT1SLC16A3KMT2ATSHRMEN1
SCHEMBL3897238 0.88 KEAP1 (0.55) SLC16A3KMT2ATSHRALDH1A1POLB
SCHEMBL4983596 0.84 HDAC1 (0.63) SLC16A3KMT2ATSHRMEN1BCL2
SCHEMBL7425678 0.81 ALDH1A1 (0.55) SLC16A3KMT2ATSHRALDH1A1BCL2
Methane SCHEMBL7208092 0.80 HTR6 (0.56) SLC16A3KMT2ATSHRMEN1ALDH1A1
SCHEMBL3556581 0.79 SLC16A3 (0.58) SLC16A3KMT2ATSHRMEN1ALDH1A1
SCHEMBL10438570 0.78 ALDH1A1 (0.57) SLC16A3KMT2ATSHRALDH1A1POLB
SCHEMBL5205026 0.78 ALDH1A1 (0.58) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL28290008 0.78 ALDH1A1 (0.53) KMT2ATSHRMEN1ALDH1A1POLB
SCHEMBL12050285 0.78 RECQL (0.57) KMT2ATSHRMEN1ALDH1A1POLB

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
EP-1572678-A4 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARM INC (US) 2008-05-07 EP disclosed
EP-1572678-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS Elan Pharmaceuticals, Inc. (US) 2005-09-14 EP disclosed
WO-2004056319-A2 SUBSTITUTED N-PHENYL SULFONAMIDE BRADYKININ ANTAGONISTS ELAN PHARMACEUTICALS INC. (US) 2004-07-08 WO disclosed