SCHEMBL3253203

SCHEMBL3253203

O=C(O)Oc1ccc(-c2ccc(S(=O)(=O)Nc3ncc(CC(=O)N4CCOCC4)s3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
LMNA P02545 1/20 0.46
HSD11B1 P28845 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.42
ADAMTS4 O75173 2/20 0.42
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
FKBP1A P62942 1/20 0.40
PTGS2 P35354 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39

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
SCHEMBL3254312 0.90 MAPT (0.52) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3248447 0.88 HSD11B1 (0.47) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3256465 0.88 KMT2A (0.47) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3248435 0.87 SMN1; SMN2 (0.50) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3253280 0.87 HSD11B1 (0.48) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3255832 0.87 HSD11B1 (0.52) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3255322 0.84 ALDH1A1 (0.56) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3254379 0.84 HSD11B1 (0.48) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3256545 0.84 HSD11B1 (0.51) GAALMNAHSD11B1ALDH1A1HTT
SCHEMBL3251270 0.83 HSD11B1 (0.52) GAALMNAHSD11B1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1461325-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2010-05-26 EP claimed