SCHEMBL4059164

SCHEMBL4059164

NOc1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
LMNA P02545 2/20 0.37
XBP1 P17861 1/20 0.37
HTT P42858 2/20 0.36
EPHX1 P07099 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IDO1 P14902 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
RAF1 P04049 2/20 0.33

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
SCHEMBL1045536 0.80 NOTUM (0.39) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL1041682 0.80 EPHX2 (0.43) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL30451893 0.80 EPHX2 (0.43) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL14937673 0.77 KDM4E (0.45) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL3923371 0.76 IDO1 (0.56) NOTUMIDO1
SCHEMBL14310879 0.76 AR (0.40) NOTUMIDO1TAS2R14PDE3BPDE3A
SCHEMBL1129534 0.76 MEN1 (0.44) MAPTMEN1KMT2ALMNATAS2R14
SCHEMBL2098125 0.76 MAPT (0.38) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL2095511 0.76 MAPT (0.38) NOTUMMAPTMEN1KMT2ANPSR1
SCHEMBL2098124 0.76 AR (0.39) NOTUMMAPTMEN1KMT2ANPSR1

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-2032537-A1 NEW UREA DERIVATIVES AND THE APPLICATION THEREOF ScheBo Biotech Aktiengesellschaft (DE) 2009-03-11 EP disclosed
WO-2008000252-A1 NEW UREA DERIVATIVES AND THE APPLICATION THEREOF SCHEBO BIOTECH AG (DE) 2008-01-03 WO disclosed
WO-2008000252-A1 NEW UREA DERIVATIVES AND THE APPLICATION THEREOF SCHEBO BIOTECH AG (DE) 2008-01-03 WO disclosed