SCHEMBL5281418

SCHEMBL5281418

COC(=O)Oc1cc2c(cc1C)-c1cccc(F)c1CS2(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
NOTUM Q6P988 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
SLC2A1 P11166 1/20 0.32
SLC2A4 P14672 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3R2 O00459 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PIK3R5 Q8WYR1 1/20 0.32
PIK3R3 Q92569 1/20 0.32
THRB P10828 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL5277022 0.87 THRB (0.36) KDM4EMAPTTP53THRBMEN1
SCHEMBL6774138 0.82 NOTUM (0.37) KDM4ENOTUMMAPK1KMT2ANPC1
SCHEMBL5282508 0.81 KDM4E (0.40) KDM4ENOTUMMAPK1MAPTTP53
SCHEMBL5288509 0.79 KMT2A (0.36) KDM4EMAPTPIK3CDPIK3R2PIK3CA
SCHEMBL5285655 0.76 MAPT (0.33) KDM4EMAPTHPGDHSD17B10
SCHEMBL5277972 0.74 MAPT (0.38) KDM4EMAPTPIK3CDPIK3R2PIK3CA
SCHEMBL5279300 0.74 KMT2A (0.40) MAPTMEN1KMT2ALMNAHSD17B10
SCHEMBL5280563 0.74 KMT2A (0.38) KDM4EMAPK1MAPTMEN1KMT2A
SCHEMBL5281217 0.71 NCEH1 (0.34) KDM4EMAPTMEN1KMT2ALMNA
SCHEMBL6783272 0.70 KDM4E (0.32) KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1474414-B1 DIHYDRO-THIA-PHENANTHRENE-CARBONYL-GUANIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC REAGENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-12 EP disclosed
EP-1474414-A1 DIHYDRO-THIA-PHENANTHRENE-CARBONYL-GUANIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC REAGENT Aventis Pharma Deutschland GmbH (DE) 2004-11-10 EP disclosed
WO-2003066620-A1 DIHYDRO-THIA-PHENANTHRENE-CARBONYL-GUANIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC REAGENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-14 WO disclosed