SCHEMBL7170265

SCHEMBL7170265

Cn1nc(-c2ccc(CS(=O)(=O)Nc3nc(CC(=O)O)cs3)s2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.43
SCD O00767 2/20 0.41
PTGES2 Q9H7Z7 1/20 0.40
POLB P06746 2/20 0.39
MAPT P10636 3/20 0.37
CTPS1 P17812 3/20 0.36
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
PDE5A O76074 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CPT1A P50416 1/20 0.34
CPT1B Q92523 1/20 0.34

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
SCHEMBL3617632 0.86 GAA (0.58) GAAL3MBTL1ALDH1A1SCDPTGES2
SCHEMBL3248035 0.71 GAA (0.59) GAAL3MBTL1ALDH1A1SCDPTGES2
SCHEMBL12620551 0.68 ALDH1A1 (0.55) GAAL3MBTL1ALDH1A1PTGES2POLB
SCHEMBL5132405 0.67 GAA (0.54) GAAL3MBTL1ALDH1A1PTGES2POLB
SCHEMBL3622307 0.66 KMT2A (0.65) GAAALDH1A1POLBMAPTCTPS1
SCHEMBL4244410 0.66 ALDH1A1 (0.53) GAAL3MBTL1ALDH1A1PTGES2POLB
SCHEMBL2058323 0.66 ALDH1A1 (0.74) GAAL3MBTL1ALDH1A1PTGES2POLB
SCHEMBL3617616 0.65 KDM1A (0.57) GAAALDH1A1SCDPOLBMAPT
SCHEMBL3620479 0.65 POLB (0.53) GAAALDH1A1SCDPOLBMAPT
SCHEMBL9481455 0.65 CTPS1 (0.62) GAAALDH1A1MAPTCTPS1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO disclosed