SCHEMBL6047589

SCHEMBL6047589

Cc1ccc(C2=C(Cl)C(Cl)=C(c3cccc(F)c3F)[CH]C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PGR P06401 1/20 0.32
WDR5 P61964 1/20 0.32
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
CNR2 P34972 1/20 0.30
PTGS2 P35354 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL5887404 0.75 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1PGR
SCHEMBL5887672 0.74 ESR2 (0.40) SMN1; SMN2PGR
SCHEMBL1047349 0.73 MEN1 (0.45) PTGS1MEN1KMT2ANPC1NFKB1
SCHEMBL17550730 0.71 MEN1 (0.44) PTGS1MEN1KMT2ANPC1NFKB1
SCHEMBL10091240 0.71 MEN1 (0.44) PTGS1MEN1KMT2ANPC1NFKB1
SCHEMBL5887443 0.70 ACHE (0.46) MEN1KMT2ANPC1RAB9ARELA
SCHEMBL6047653 0.69 HSD11B1 (0.37) DHODH
SCHEMBL5887582 0.68 TSHR (0.43) MEN1KMT2ANPC1RAB9APGR
SCHEMBL22048103 0.67 MEN1 (0.44) PTGS1MEN1KMT2ANPC1NFKB1
SCHEMBL10091222 0.67 MEN1 (0.42) PTGS1MEN1KMT2ANPC1NFKB1

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
JP-2006501194-A 2006-01-12 JP claimed
EP-1525190-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-04-27 EP claimed
WO-2004007463-A1 CCK-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2004-01-22 WO claimed