SCHEMBL2489857

SCHEMBL2489857

CC(C)(C)C1CCCc2sc(N)c(C(=O)O)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.43
MAPT P10636 14/20 0.43
KDM4E B2RXH2 10/20 0.43
HPGD P15428 9/20 0.43
ALOX15 P16050 7/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ANO1 Q5XXA6 1/20 0.43
ADORA1 P30542 2/20 0.40
RAD52 P43351 1/20 0.40
HSD17B10 Q99714 9/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
USP2 O75604 1/20 0.39
RECQL P46063 1/20 0.39
MAPK1 P28482 2/20 0.38
TSHR P16473 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 1/20 0.38
GAA P10253 3/20 0.37

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
SCHEMBL5420863 0.78 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL6120984 0.77 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL10720075 0.77 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL17909966 0.73 ALDH1A1 (0.44) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL8290782 0.69 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL11533490 0.67 OAT (0.33)
SCHEMBL644159 0.66 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL11479163 0.66 ALDH1A1 (0.73) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL15832849 0.66 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EHPGDALOX15
SCHEMBL11485336 0.65 ALDH1A1 (0.74) ALDH1A1MAPTKDM4EHPGDALOX15

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-2150530-B1 SUBSTITUTED SULFONAMIDE DERIVATIVES GRUENENTHAL GMBH (DE) 2011-10-26 EP disclosed
EP-2150530-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-02-10 EP disclosed
WO-2008131947-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed
EP-0227431-A1 Heterocyclic amides BEECHAM GROUP PLC (GB) 1987-07-01 EP disclosed