SCHEMBL2452840

SCHEMBL2452840

COC1(C)C=CC=C(C(N)=O)C1c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
KDM4E B2RXH2 7/20 0.35
GLA P06280 4/20 0.35
STAT1 P42224 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 4/20 0.34
HPGD P15428 3/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
ADORA2B P29275 2/20 0.34
HSD17B10 Q99714 3/20 0.33
BRD4 O60885 1/20 0.33
BRDT Q58F21 1/20 0.33

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
SCHEMBL2456050 0.79 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL18816696 0.61 ALDH1A1 (0.39) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL7062638 0.59 BRD4 (0.37) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL15977332 0.58 BRD4 (0.40) ALDH1A1MAPTL3MBTL1KDM4EGLA
Urea SCHEMBL4974754 0.57 RAB9A (0.43) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL18991369 0.57 BRD4 (0.40) ALDH1A1MAPTL3MBTL1KDM4EGLA
SCHEMBL7062104 0.56 ALDH1A1 (0.35) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL1554818 0.56 POLB (0.50) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL7815170 0.56 ALDH1A1 (0.59) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL11565945 0.56 ALDH1A1 (0.51) ALDH1A1MAPTL3MBTL1KDM4EKMT2A

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-1663193-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES Applied Research Systems ARS Holding N.V. (AN) 2006-06-07 EP claimed
WO-2005025558-A1 SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES APPLIED RESERACH SYSTEMS ARS HOLDING N.V. (AN) 2005-03-24 WO claimed
US-8012995-B1 Pharmaceutically active sulfonamide derivatives MERCK SERONO SA (CH) 2011-09-06 US disclosed
US-7544700-B2 Pharmaceutically active sulfonamide derivatives bearing both lipophilic and ionisable moieties as inhibitors of protein JunKinases LABORATOIRES SERONO SA (CH) 2009-06-09 US disclosed