SCHEMBL7363568

SCHEMBL7363568

Cc1ccc(S(=O)(=O)Sc2cc3c(C(=O)OC(C)(C)C)c[nH]c3cc2C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.40
PRKAB2 O43741 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA2 P54646 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAG3 Q9UGI9 1/20 0.34
PRKAG2 Q9UGJ0 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
MAPT P10636 2/20 0.34
KDM1A O60341 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
DNMT1 P26358 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
HAT1 O14929 1/20 0.33
EP300 Q09472 1/20 0.33
POLB P06746 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32

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
SCHEMBL6302820 0.73 DNMT1 (0.43) MEN1KMT2ADNMT1LMNAPOLB
SCHEMBL6378684 0.73 KMT2A (0.44) MAPTMEN1KMT2ADNMT1BCHE
SCHEMBL6369974 0.72 DNMT1 (0.38) MAPTMEN1KMT2ADNMT1LMNA
SCHEMBL7359913 0.72 NR4A2 (0.39) NR4A2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL8008454 0.71 DNMT1 (0.36) DNMT1LMNABCHEACHE
SCHEMBL7638882 0.71 DNMT1 (0.36) DNMT1LMNAPOLB
SCHEMBL6297612 0.70 DNMT1 (0.35) MAPTKMT2ADNMT1BCHEACHE
SCHEMBL6302892 0.70 KDM4E (0.52) MAPTMEN1KMT2ALMNARAB9A
SCHEMBL6381936 0.70 TDP1 (0.40) KMT2ADNMT1RAB9ABCHEACHE
SCHEMBL5880909 0.69 DNMT1 (0.41) MAPTMEN1KMT2ADNMT1LMNA

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-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP claimed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO claimed
EP-1112269-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-07-04 EP disclosed
WO-2000015634-A2 HIV PROTEASE INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-03-23 WO disclosed