SCHEMBL5609434

SCHEMBL5609434

O=c1c2cc(NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)ccc2[nH]n1Cc1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
CCNA1 P78396 1/20 0.39
CDK6 Q00534 1/20 0.39
BRD4 O60885 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PGR P06401 1/20 0.37
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL5608553 0.94 PKM (0.40) BRD4ALDH1A1MAPTMEN1POLB
SCHEMBL1806802 0.93 LMNA (0.39) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL1804100 0.88 PTGES2 (0.44) BRD4ALDH1A1PGRMEN1KMT2A
SCHEMBL1804773 0.86 MEN1 (0.46) BRD4ALDH1A1MAPTMEN1POLB
SCHEMBL1802901 0.86 BRD4 (0.41) BRD4ALDH1A1MEN1KMT2AHTR6
SCHEMBL3911569 0.84 CDK1 (0.41) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL1819904 0.83 BRD4 (0.52) BRD4PGRMAPTHTR6PKM
SCHEMBL5609197 0.83 PFKFB3 (0.40) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL3906967 0.78 PKM (0.40) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL3913835 0.78 LMNA (0.39) CDK1CCNB1CCNA2CDK2CDK7

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-1797042-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-06-20 EP disclosed
WO-2006034804-A1 INDOZOLONE DERIVATIVES AS 11B-HSD1 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2006-04-06 WO disclosed